(1S,3S,4S,6S,7S,16S,19S,23R,25R)-19-methyl-12-phenylmethoxy-34-oxanonacyclo[23.8.1.01,25.03,23.04,20.06,19.07,16.010,15.027,32]tetratriaconta-10(15),11,13,20,27,29,31-heptaene-2,24,26,33-tetrone | 213337-07-6

分子结构分类

有机化合物 - 苯类化合物 - 并四苯

中文名称

——

中文别名

——

英文名称

(1S,3S,4S,6S,7S,16S,19S,23R,25R)-19-methyl-12-phenylmethoxy-34-oxanonacyclo[23.8.1.01,25.03,23.04,20.06,19.07,16.010,15.027,32]tetratriaconta-10(15),11,13,20,27,29,31-heptaene-2,24,26,33-tetrone

英文别名

——

(1S,3S,4S,6S,7S,16S,19S,23R,25R)-19-methyl-12-phenylmethoxy-34-oxanonacyclo[23.8.1.01,25.03,23.04,20.06,19.07,16.010,15.027,32]tetratriaconta-10(15),11,13,20,27,29,31-heptaene-2,24,26,33-tetrone化学式

CAS

213337-07-6

化学式

C₄₁H₃₆O₆

mdl

——

分子量

624.733

InChiKey

SVRZKAQNZDPBPS-KFKYOQBWSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

7
重原子数：

47
可旋转键数：

3
环数：

10.0
sp3杂化的碳原子比例：

0.41
拓扑面积：

90
氢给体数：

0
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
4a,9alpha-环氧-4a,9alpha-二氢蒽-1,4,9,10-四酮	4a,9a-epoxy-4a,9a-dihydro-anthracene-1,4,9,10-tetraone	69448-06-2	C₁₄H₆O₅	254.199
——	(8R,9S,13S,14S)-3-(benzyloxy)-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl trifluoromethanesulfonate	213337-05-4	C₂₆H₂₇F₃O₄S	492.559
——	(8R,9S,13S,14S)-3-Benzyloxy-13-methyl-17-vinyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene	213337-06-5	C₂₇H₃₀O	370.535

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(1S,2S,15R,19S,22S,31S,32S)-19-methyl-26-phenylmethoxyoctacyclo[16.15.0.02,15.04,13.06,11.019,32.022,31.023,28]tritriaconta-4(13),6,8,10,17,23(28),24,26-octaene-3,5,12,14-tetrone	213337-10-1	C₄₁H₃₆O₅	608.734
——	(1S,2S,15R,19S,22S,31S,32S)-5,12-dihydroxy-19-methyl-26-phenylmethoxyoctacyclo[16.15.0.02,15.04,13.06,11.019,32.022,31.023,28]tritriaconta-4,6,8,10,12,17,23(28),24,26-nonaene-3,14-dione	213337-09-8	C₄₁H₃₈O₅	610.75
——	(1S,3S,19S,21S,22R,31S,34S)-6,17-dihydroxy-34-methyl-27-phenylmethoxy-2-oxanonacyclo[17.15.0.01,3.05,18.07,16.09,14.021,34.022,31.025,30]tetratriaconta-5(18),6,9,11,13,16,25(30),26,28-nonaene-8,15-dione	213337-13-4	C₄₁H₃₆O₆	624.733
——	estrarubicin	——	C₃₄H₃₀O₆	534.609
——	(1R,19S,22S,31S,32S)-3,14-dihydroxy-19-methyl-26-phenylmethoxyoctacyclo[16.15.0.02,15.04,13.06,11.019,32.022,31.023,28]tritriaconta-2(15),3,6,8,10,13,17,23(28),24,26-decaene-5,12-dione	213337-11-2	C₄₁H₃₆O₅	608.734

反应信息

作为反应物：

描述：

(1S,3S,4S,6S,7S,16S,19S,23R,25R)-19-methyl-12-phenylmethoxy-34-oxanonacyclo[23.8.1.01,25.03,23.04,20.06,19.07,16.010,15.027,32]tetratriaconta-10(15),11,13,20,27,29,31-heptaene-2,24,26,33-tetrone 在 lead(IV) acetate 、三乙胺、间氯过氧苯甲酸、锌作用下，以二氯甲烷、氯仿、溶剂黄146 为溶剂，反应 27.0h，生成 (1S,3S,19S,21S,22R,31S,34S)-6,17-dihydroxy-34-methyl-27-phenylmethoxy-2-oxanonacyclo[17.15.0.01,3.05,18.07,16.09,14.021,34.022,31.025,30]tetratriaconta-5(18),6,9,11,13,16,25(30),26,28-nonaene-8,15-dione

参考文献：

名称：

Design and Synthesis of Estrarubicin: a Novel Class of Estrogen-Anthracenedione Hybrids

摘要：

DOI：

10.1002/(sici)1099-0690(199809)1998:9<1965::aid-ejoc1965>3.0.co;2-s
作为产物：

描述：

3-O-苄基雌酮在四(三苯基膦)钯 lithium chloride 、 lithium hexamethyldisilazane 作用下，以四氢呋喃、甲苯为溶剂，反应 7.0h，生成 (1S,3S,4S,6S,7S,16S,19S,23R,25R)-19-methyl-12-phenylmethoxy-34-oxanonacyclo[23.8.1.01,25.03,23.04,20.06,19.07,16.010,15.027,32]tetratriaconta-10(15),11,13,20,27,29,31-heptaene-2,24,26,33-tetrone

参考文献：

名称：

Design and Synthesis of Estrarubicin: a Novel Class of Estrogen-Anthracenedione Hybrids

摘要：

DOI：

10.1002/(sici)1099-0690(199809)1998:9<1965::aid-ejoc1965>3.0.co;2-s

点击查看最新优质反应信息

文献信息

Design and Synthesis of Estrarubicin: a Novel Class of Estrogen-Anthracenedione Hybrids

作者：Francesco De Riccardis、Daniela Meo、Irene Izzo、Marcello Di Filippo、Agostino Casapullo

DOI：10.1002/(sici)1099-0690(199809)1998:9<1965::aid-ejoc1965>3.0.co;2-s

日期：1998.9

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