(4R,4aR,5R,6S,7S,9S,10S,10aR,11S,Z)-1,3-diacetyl-2-(acetylimino)-9-(benzoyloxy)-6-((benzoyloxy)methyl)-4-methoxydecahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,10,11-triyl triacetate | 588694-18-2

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

(4R,4aR,5R,6S,7S,9S,10S,10aR,11S,Z)-1,3-diacetyl-2-(acetylimino)-9-(benzoyloxy)-6-((benzoyloxy)methyl)-4-methoxydecahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,10,11-triyl triacetate

英文别名

——

(4R,4aR,5R,6S,7S,9S,10S,10aR,11S,Z)-1,3-diacetyl-2-(acetylimino)-9-(benzoyloxy)-6-((benzoyloxy)methyl)-4-methoxydecahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidine-6,10,11-triyl triacetate化学式

CAS

588694-18-2

化学式

C₃₈H₃₉N₃O₁₆

mdl

——

分子量

793.738

InChiKey

NZZFEOHVQBCEKR-VQOZQVJESA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.27
重原子数：

57.0
可旋转键数：

9.0
环数：

7.0
sp3杂化的碳原子比例：

0.45
拓扑面积：

229.24
氢给体数：

0.0
氢受体数：

16.0

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
——	[(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)-3-(benzoyloxy)-9-((benzoyloxy)methyl)-7-((tert-butoxycarbonyl)amino)-8-((S)-1,2-dihydroxyethyl)-2,4-dioxaadamantane-6,9,10-triyl triacetate	588694-12-6	C₃₆H₄₁NO₁₆	743.719
——	[(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	C₃₉H₄₅NO₁₆	783.783
——	[(1R,3S,5S,6S,7R,8S,9S,10S)-6,9,10-triacetyloxy-3-benzoyloxy-7-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-8-[(1S)-1,2-dihydroxyethyl]-2,4-dioxatricyclo[3.3.1.13,7]decan-9-yl]methyl benzoate	588694-14-8	C₄₂H₅₁N₃O₁₈	885.876
——	(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
——	((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,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	C₃₆H₄₅NO₁₂	683.753
——	[(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
——	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,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,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
——	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,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