15β,16β-Epoxy-3-methoxy-oestra-1,3,5(10)trien-17β-ol | 22849-21-4

分子结构分类

有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物

中文名称

——

中文别名

——

英文名称

15β,16β-Epoxy-3-methoxy-oestra-1,3,5(10)trien-17β-ol

英文别名

——

15β,16β-Epoxy-3-methoxy-oestra-1,3,5(10)trien-17β-ol化学式

CAS

22849-21-4

化学式

C₁₉H₂₄O₃

mdl

——

分子量

300.398

InChiKey

CSKAASORUGUTRJ-JCTPFYOHSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

2.9
重原子数：

22.0
可旋转键数：

1.0
环数：

5.0
sp3杂化的碳原子比例：

0.68
拓扑面积：

41.99
氢给体数：

1.0
氢受体数：

3.0

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-methoxy-1,3,5(10)-estratriene-15β,17β-diol	60023-41-8	C₁₉H₂₆O₃	302.414
——	Carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-83-1	C₂₀H₂₅NO₄	343.423
——	Carbonic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester methyl ester	53357-99-6	C₂₁H₂₆O₅	358.434
——	Carbonic acid ethyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-85-3	C₂₂H₂₈O₅	372.461
——	Carbonic acid 2-hydroxy-ethyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-92-2	C₂₂H₂₈O₆	388.461
——	Carbonic acid isopropyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	53414-39-4	C₂₃H₃₀O₅	386.488
——	Carbonic acid hexyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-86-4	C₂₆H₃₆O₅	428.569
——	Carbonic acid 2-methoxy-ethyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-91-1	C₂₃H₃₀O₆	402.488
——	Carbonic acid cyclohexyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-89-7	C₂₆H₃₄O₅	426.553
——	Methyl-carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	22835-20-7	C₂₁H₂₇NO₄	357.45
——	Carbonic acid allyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-94-4	C₂₃H₂₈O₅	384.472
——	Carbonic acid 2-chloro-ethyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-90-0	C₂₂H₂₇ClO₅	406.906
——	Ethyl-carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-84-2	C₂₂H₂₉NO₄	371.477
——	N',N'-Dimethyl-hydrazinecarboxylic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	53357-98-5	C₂₂H₃₀N₂O₄	386.491
——	Carbonic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester phenyl ester	59451-87-5	C₂₆H₂₈O₅	420.505
——	Carbonic acid benzyl ester (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	59451-88-6	C₂₇H₃₀O₅	434.532
——	(8R,9S,13S,14S,15S,16R,17R)-16-Iodo-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-75-8	C₁₉H₂₅IO₃	428.31
——	(8R,9S,13S,14S,15S,16R,17R)-16-Chloro-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-52-1	C₁₉H₂₅ClO₃	336.859
——	Benzyl-carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	53358-04-6	C₂₇H₃₁NO₄	433.547
——	(8R,9S,13S,14S,15S,16R,17R)-16-Bromo-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-76-9	C₁₉H₂₅BrO₃	381.31
——	Phenyl-carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	53357-97-4	C₂₆H₂₉NO₄	419.521
——	Piperidine-1-carboxylic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester	53358-02-4	C₂₅H₃₃NO₄	411.541
——	Carbonic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester 4-nitro-phenyl ester	59451-95-5	C₂₆H₂₇NO₇	465.503
——	(8R,9S,13S,14S,15S,16R,17R)-16-Ethylsulfanyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-49-6	C₂₁H₃₀O₃S	362.533
——	(8R,9S,13S,14S,15R,16R,17R)-15-Chloro-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol	60023-42-9	C₁₉H₂₅ClO₃	336.859
——	(8R,9S,13S,14S,15S,16R,17R)-3-Methoxy-13-methyl-16-thiocyanato-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-74-7	C₂₀H₂₅NO₃S	359.489
——	(8R,9S,13S,14S,15S,16R,17R)-16-Azido-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-15,17-diol	53357-47-4	C₁₉H₂₅N₃O₃	343.426
——	(8R,9S,13S,14S,15R,16R,17R)-15-Bromo-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol	60023-43-0	C₁₉H₂₅BrO₃	381.31
——	16α-Chlor-17β-isopropyloxycarbonyloxy-3-methoxyoestra-1,3,5(10)-trien-15β-ol	53357-87-2	C₂₃H₃₁ClO₅	422.949
——	16α-Chlor-17β-N',N'-dimethylhydrazinocarbonyloxy-3-methoxyoestra-1,3,5(10)-trien-15β-ol	53357-83-8	C₂₂H₃₁ClN₂O₄	422.952
——	16α-Ethylthio-17β-N',N'-dimethylhydrazinocarbonyloxy-3-methoxyoestra-1,3,5(10)-trien-15β-ol	53357-85-0	C₂₄H₃₆N₂O₄S	448.627
——	3-Methoxyoestra-1,3,5(10),14-tetraen-16β,17β-diolcyclocarbonat	75857-69-1	C₂₀H₂₂O₄	326.392

反应信息

作为反应物：

描述：

15β,16β-Epoxy-3-methoxy-oestra-1,3,5(10)trien-17β-ol 在 TEA 作用下，以四氢呋喃、苯为溶剂，反应 1.0h，生成 Methyl-carbamic acid (8R,9S,13S,14S,15S,16S,17R)-3-methoxy-13-methyl-6,8,9,11,12,13,14,15,16,17-decahydro-7H-20-oxa-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester

参考文献：

名称：

Schubert; Ponsold; Hillesheim, Pharmazie, 1980, vol. 35, # 8, p. 453 - 457

摘要：

DOI：

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文献信息

Ponsold,K.; Schubert,G., Journal fur praktische Chemie (Leipzig 1954), 1976, vol. 318, # 2, p. 279 - 290

作者：Ponsold,K.、Schubert,G.

DOI：——

日期：——

15β,16β-Epoxy-3-methoxy-oestra-1,3,5(10)trien-17β-ol | 22849-21-4

分子结构分类

计算性质

上下游信息

反应信息

文献信息

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