Stigmasta-4,25-dien-3-one
HIT213886381
sdf文件结构编辑类似物检索
HIT ID: HIT213886381
Cas No: 848669-08-9
分子式: C29H46O
分子量: 410.686
常用名: Stigmasta-4,25-dien-3-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C |t:14|
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C |t:14|
InChI key: IUJSEAGAJKMVBJ-XJZKHKOHSA-N
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