17beta-Acetoxy-3beta-benzoyloxy-7alpha-chloro-5,6beta-epoxy-15beta,16beta-methylene-5beta-androstane

HCID 88717469

基本信息

标准SMILES: CC(=O)O[C@H]1[C@H]2C[C@H]2[C@H]2[C@@H]3[C@H](Cl)[C@H]4O[C@]45C[C@@H](OC(=O)c4ccccc4)CC[C@]5(C)[C@H]3CC[C@@]21C
InChIKey: ATMGOYKSKAJZRX-CJIPNLQQSA-N
分子式: C29H35ClO5
平均分子量: 499 g/mol
单同位素质量: 498.2173019

首选名称: 17beta-Acetoxy-3beta-benzoyloxy-7alpha-chloro-5,6beta-epoxy-15beta,16beta-methylene-5beta-androstane
IUPAC: [(1S,2R,5S,7S,9S,10S,11R,12S,13S,15S,16S,17S)-16-acetyloxy-10-chloro-2,17-dimethyl-8-oxahexacyclo[9.8.0.02,7.07,9.012,17.013,15]nonadecan-5-yl] benzoate

SCHEMBL11064894ATMGOYKSKAJZRX-CJIPNLQQSA-N17beta-acetoxy-3beta-benzoyloxy-7alpha-chloro-5,6beta-epoxy-15beta,16beta-methylene-5beta-androstane

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标准SMILES: CC(=O)O[C@H]1[C@H]2C[C@H]2[C@H]2[C@@H]3[C@H](Cl)[C@H]4O[C@]45C[C@@H](OC(=O)c4ccccc4)CC[C@]5(C)[C@H]3CC[C@@]21C
InChIKey: ATMGOYKSKAJZRX-CJIPNLQQSA-N
分子式: C29H35ClO5
平均分子量: 499 g/mol
单同位素质量: 498.2173019

首选名称: 17beta-Acetoxy-3beta-benzoyloxy-7alpha-chloro-5,6beta-epoxy-15beta,16beta-methylene-5beta-androstane
IUPAC: [(1S,2R,5S,7S,9S,10S,11R,12S,13S,15S,16S,17S)-16-acetyloxy-10-chloro-2,17-dimethyl-8-oxahexacyclo[9.8.0.02,7.07,9.012,17.013,15]nonadecan-5-yl] benzoate

SCHEMBL11064894ATMGOYKSKAJZRX-CJIPNLQQSA-N17beta-acetoxy-3beta-benzoyloxy-7alpha-chloro-5,6beta-epoxy-15beta,16beta-methylene-5beta-androstane

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