Stigmastadienone
HIT212722863
sdf文件结构编辑类似物检索
HIT ID: HIT212722863
Cas No: 20817-72-5;55722-32-2
分子式: C29H46O
分子量: 410.686
常用名: Stigmastadienone
氢键受体数 (HBA): 1
氢键供体数 (HBD): 0
LogP: 8.049801
IUPAC: (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-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,3E,5S)-5-ethyl-6-methylhept-3-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](\C=C\[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](\C=C\[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: MKGZDUKUQPPHFM-LPJPOILFSA-N
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