[(1S,5R,6S,7R,8S,9S)-7-acetyloxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-9-(phenylmethoxymethoxy)-2-oxabicyclo[3.3.1]non-3-en-8-yl]methyl benzoate | 588694-02-4

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

[(1S,5R,6S,7R,8S,9S)-7-acetyloxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-9-(phenylmethoxymethoxy)-2-oxabicyclo[3.3.1]non-3-en-8-yl]methyl benzoate

英文别名

——

[(1S,5R,6S,7R,8S,9S)-7-acetyloxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-9-(phenylmethoxymethoxy)-2-oxabicyclo[3.3.1]non-3-en-8-yl]methyl benzoate化学式

CAS

588694-02-4

化学式

C₃₆H₄₅NO₁₂

mdl

——

分子量

683.753

InChiKey

HBGGYRZBNMZQIF-NJHIJJATSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

49
可旋转键数：

15
环数：

5.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

157
氢给体数：

2
氢受体数：

12

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
——	Benzoic acid (1S,2R,3S,4R,5S,6R)-2-acetoxy-5-benzyloxymethoxy-4-tert-butoxycarbonylamino-3-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-(2-hydroxy-ethyl)-7-oxa-bicyclo[4.1.0]hept-1-ylmethyl ester	588693-96-3	C₃₆H₄₇NO₁₂	685.769
——	[(1S,2R,3S,4R,5S,6R)-2-acetyloxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-oxoethyl)-5-(phenylmethoxymethoxy)-7-oxabicyclo[4.1.0]heptan-1-yl]methyl benzoate	588693-98-5	C₃₆H₄₅NO₁₂	683.753
——	((1S,2R,3S,4R,5S,6R)-2-acetoxy-5-((benzyloxy)methoxy)-4-((tert-butoxycarbonyl)amino)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-7-oxabicyclo[4.1.0]heptan-1-yl)methyl benzoate	588693-94-1	C₅₆H₆₃NO₁₃	958.115
——	[(1S,2R,3R,4R,5S,6R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxymethoxy)-7-oxabicyclo[4.1.0]heptan-1-yl]methyl benzoate	588693-89-4	C₅₄H₆₁NO₁₂	916.078
——	((1S,2S,3R,4R,5S,6R)-5-((benzyloxy)methoxy)-4-((tert-butoxycarbonyl)amino)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxy-4-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-7-oxabicyclo[4.1.0]heptan-1-yl)methyl benzoate	588693-87-2	C₅₄H₆₁NO₁₂	916.078
——	tert-butyl ((1R,2S,3R,4R,5S,6S)-2-((benzyloxy)methoxy)-4-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-5-hydroxy-6-(hydroxymethyl)-3-(2-((4-methoxyphenyl)diphenylmethoxy)ethyl)-7-oxabicyclo[4.1.0]heptan-3-yl)carbamate	588693-85-0	C₄₇H₅₇NO₁₁	811.97
——	tert-butyl N-[(1R,2R,5S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-(hydroxymethyl)-1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]-2-(phenylmethoxymethoxy)cyclohex-3-en-1-yl]carbamate	588693-83-8	C₄₇H₅₇NO₁₀	795.97
——	methyl 2-[(1S,5R,6R,9R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-6-(phenylmethoxymethoxy)-2-oxa-4-azabicyclo[3.3.1]non-7-en-5-yl]acetate	588693-79-2	C₄₀H₄₉NO₉Si	715.916
——	(1S,5R,6R,9R)-6-Benzyloxymethoxy-8-(tert-butyl-diphenyl-silanyloxymethyl)-9-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-5-{2-[(4-methoxy-phenyl)-diphenyl-methoxy]-ethyl}-3-oxo-2-oxa-4-aza-bicyclo[3.3.1]non-7-ene-4-carboxylic acid tert-butyl ester	588693-81-6	C₆₄H₇₃NO₁₁Si	1060.37
——	Benzoic acid (1S,5R,8S,8aR)-1-acetoxymethyl-5-benzyloxymethoxy-7-(tert-butyl-diphenyl-silanyloxymethyl)-3-methoxy-3,5,8,8a-tetrahydro-1H-isochromen-8-yl ester	588693-60-1	C₄₅H₅₀O₉Si	762.972
——	(1S,5R,8S,8aR)-1-(acetoxymethyl)-5-((benzyloxy)methoxy)-7-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-3,5,8,8a-tetrahydro-1H-isochromen-8-yl benzoate	588693-63-4	C₄₄H₄₈O₉Si	748.945
——	[(1S,4R,5E,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(2-hydroxyethylidene)-4-(phenylmethoxymethoxy)cyclohex-2-en-1-yl] benzoate	588693-67-8	C₄₅H₅₂O₈Si	748.989
——	[(1S,3S,5R,8S,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-5-(phenylmethoxymethoxy)-3,5,8,8a-tetrahydro-1H-isochromen-8-yl] benzoate	588693-57-6	C₄₉H₆₂O₈Si₂	835.197
——	[(1S,5R,8S,8aR)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-1-(hydroxymethyl)-5-(phenylmethoxymethoxy)-3,5,8,8a-tetrahydro-1H-isochromen-8-yl] benzoate	588693-65-6	C₄₂H₄₆O₈Si	706.908
——	Benzoic acid (1S,3S,5R,8S,8aR)-1-(tert-butyl-dimethyl-silanyloxymethyl)-7-(tert-butyl-diphenyl-silanyloxymethyl)-5-hydroxy-3-methoxy-3,5,8,8a-tetrahydro-1H-isochromen-8-yl ester	588693-55-4	C₄₁H₅₄O₇Si₂	715.047
——	methyl (2E)-2-[(2R,5S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-(phenylmethoxymethoxy)cyclohex-3-en-1-ylidene]acetate	588693-75-8	C₃₉H₄₈O₈Si	672.891
——	(1S,4R,6R)-4-Benzyloxymethoxy-2-(tert-butyl-diphenyl-silanyloxymethyl)-6-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-5-[2-hydroxy-eth-(E)-ylidene]-cyclohex-2-enol	588693-71-4	C₃₈H₄₈O₇Si	644.88
——	[(2R,5S,6R)-2-Benzyloxymethoxy-4-(tert-butyl-diphenyl-silanyloxymethyl)-6-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-5-hydroxy-cyclohex-3-en-(E)-ylidene]-acetaldehyde	588693-73-6	C₃₈H₄₆O₇Si	642.865

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(1S,4S,5S,6S,7R,8S,9S)-7-acetyloxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,8-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-9-(phenylmethoxymethoxy)-2-oxabicyclo[3.3.1]nonan-8-yl]methyl benzoate	588694-06-8	C₃₆H₄₅NO₁₄	715.752
——	((1S,5R,6S,7R,8S,9S)-7-acetoxy-9-((benzyloxy)methoxy)-5-((tert-butoxycarbonyl)amino)-6-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-8-hydroxy-3,4-dioxo-2-oxabicyclo[3.3.1]nonan-8-yl)methyl benzoate	588694-04-6	C₃₆H₄₃NO₁₄	713.736
——	[(1S,3S,5R,6S,7R,8S,9S,10S)-9,10-diacetyloxy-3-benzoyloxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-(phenylmethoxymethoxy)-2,4-dioxatricyclo[3.3.1.13,7]decan-9-yl]methyl benzoate	588694-08-0	C₄₅H₅₁NO₁₆	861.897
——	[(1R,3S,5S,6S,7R,8S,9S,10S)-6,9,10-triacetyloxy-3-benzoyloxy-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioxatricyclo[3.3.1.13,7]decan-9-yl]methyl benzoate	588694-10-4