[(1R,2R,3R,11S,12R,14R)-12-cyano-6-methoxy-5-(methoxymethoxy)-7,21,30-trimethyl-26,27-dioxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaen-22-yl] acetate | 182201-63-4

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

[(1R,2R,3R,11S,12R,14R)-12-cyano-6-methoxy-5-(methoxymethoxy)-7,21,30-trimethyl-26,27-dioxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaen-22-yl] acetate

英文别名

——

[(1R,2R,3R,11S,12R,14R)-12-cyano-6-methoxy-5-(methoxymethoxy)-7,21,30-trimethyl-26,27-dioxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaen-22-yl] acetate化学式

CAS

182201-63-4

化学式

C₃₃H₃₅N₃O₁₀S

mdl

——

分子量

665.721

InChiKey

HTYFUNUXQPWCDD-MCWBDKFQSA-N

BEILSTEIN

——

EINECS

——

物化性质

密度：

1.48±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.1
重原子数：

47
可旋转键数：

6
环数：

7.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

171
氢给体数：

0
氢受体数：

14

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
——	(6R,6aR,7R,13S,14R,16R,20R)-5-(Acetyloxy)-20-amino-6,6a,7,13,14,16-hexahydro-9-methoxy-8-(methoxymethoxy)-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile	182201-71-4	C₃₃H₃₈N₄O₉S	666.752
——	Carbamic acid, [(6R,6aR,7R,13S,14R,16R,20R)-5-(acetyloxy)-14-cyano-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19-oxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocin-20-yl]-, 2,2,2-trichloroethyl ester	366020-69-1	C₃₄H₃₅Cl₃N₄O₁₀S	798.098
——	[(1R,2S,4R,13R,15R,16S)-15-cyano-4-hydroxy-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-oxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-6,11,18(23),19,21-pentaen-13-yl]methyl (2R)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-(prop-2-enoxycarbonylamino)propanoate	182201-61-2	C₄₉H₅₂N₄O₁₁S	905.038
——	prop-2-enyl (1R,2S,13R,15R,16S)-13-[[tert-butyl(diphenyl)silyl]oxymethyl]-15-cyano-21-methoxy-22-(methoxymethoxy)-6-methyl-5-prop-2-enoxy-20-(trifluoromethylsulfonyloxy)-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18,20,22-hexaene-24-carboxylate	182201-68-9	C₅₀H₅₄F₃N₃O₁₂SSi	1006.14
——	(5aR,6aS,7R,13S,14R,16R)-16-(((tert-butyldiphenylsilyl)oxy)methyl)-5a-hydroxy-9-methoxy-8-(methoxymethoxy)-4,10,17-trimethyl-5-oxo-5,5a,6,6a,7,13,14,16-octahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-14-carbonitrile	203922-36-5	C₄₄H₅₁N₃O₈Si	777.99
——	Allyl (6aS,7R,13S,14R,16R)-5-(allyloxy)-14-cyano-8-hydroxy-16-(hydroxymethyl)-9-methoxy-4-methyl-10-(((trifluoromethyl)sulfonyl)oxy)-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-17-carboxylate	182201-66-7	C₃₂H₃₂F₃N₃O₁₁S	723.681
——	(1R,2S,4R,13R,15R,16S)-4-hydroxy-13-(hydroxymethyl)-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-5-oxo-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-6,11,18(23),19,21-pentaene-15-carbonitrile	182201-60-1	C₂₈H₃₃N₃O₈	539.585
——	[(1R,2S,13R,15R,16S)-13-[[tert-butyl(diphenyl)silyl]oxymethyl]-15-cyano-5-hydroxy-21-methoxy-22-(methoxymethoxy)-6,24-dimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18,20,22-hexaen-20-yl] trifluoromethanesulfonate	203922-35-4	C₄₄H₄₈F₃N₃O₁₀SSi	896.026
——	(1R,2S,13R,15R,16S)-13-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-21-methoxy-22-(methoxymethoxy)-6,20,24-trimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4(12),5,7(11),18(23),19,21-hexaene-15-carbonitrile	182201-59-8	C₄₄H₅₁N₃O₇Si	761.99
——	Allyl (6aS,7R,13S,14R,16R)-5-(Allyloxy)-14-cyano-8,10-dihydroxy-16-(hydroxymethyl)-9-methoxy-4-methyl-6,6a,7,13,14,16-hexahydro-12H-7,13-epiminobenzo[4,5]azocino[1,2-b][1,3]dioxolo[4,5-h]isoquinoline-	182201-58-7	C₃₁H₃₃N₃O₉	591.618
——	prop-2-enyl N-[(1R,2S)-3-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-1-cyano-1-[(1R,12S)-8-methyl-13-oxo-9-prop-2-enoxy-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]propan-2-yl]carbamate	182201-57-6	C₄₃H₆₁N₃O₁₀Si₂	836.142
——	allyl ((1R,2S)-1-((7S,11R)-5-(allyloxy)-8-hydroxy-4-methyl-7,8,10,11-tetrahydro-6H-7,11-epimino[1,3]dioxolo[4',5':5,6]benzo[1,2-d]oxocin-12-yl)-3-(3,5-bis((tert-butyldimethylsilyl)oxy)-4-methoxyphenyl)-1-cyanopropan-2-yl)carbamate	203922-32-1	C₄₃H₆₃N₃O₁₀Si₂	838.158
——	prop-2-enyl N-[(1R,2S)-3-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-1-cyano-1-[(1R,12S)-9-hydroxy-8-methyl-13-oxo-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2(10),3(7),8-trien-16-yl]propan-2-yl]carbamate	182201-65-6	C₄₀H₅₇N₃O₁₀Si₂	796.078
——	prop-2-enyl N-[(1R,2S)-1-cyano-3-(3,5-dihydroxy-4-methoxyphenyl)-1-[(1R,12S)-13-hydroxy-8-methyl-9-prop-2-enoxy-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-trien-16-yl]propan-2-yl]carbamate	203922-33-2	C₃₁H₃₅N₃O₁₀	609.633
——	benzyl (1R,12S)-8-methyl-13-oxo-9-phenylmethoxy-4,6,14-trioxa-16-azatetracyclo[10.3.1.02,10.03,7]hexadeca-2,7,9-triene-16-carboxylate	182201-51-0	C₂₈H₂₅NO₇	487.509
——	(7S,11R)-5-Hydroxy-4-methyl-6,7,10,11-tetrahydro-8H-7,11-epimino[1,3]dioxolo[4',5':5,6]benzo[1,2-d]oxocin-8-one	182201-52-1	C₁₃H₁₃NO₅	263.25
——	2,2-dimethoxyethyl (2S)-3-(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate	182201-50-9	C₃₀H₃₃NO₉	551.593