Stigmasta-5,8-dien-3-ol
HIT213886839
sdf文件结构编辑类似物检索
HIT ID: HIT213886839
Cas No: 570-72-9
分子式: C29H48O
分子量: 412.702
常用名: Stigmasta-5,8-dien-3-ol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aR,7S,9aS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC: (1R,3aR,7S,9aS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C |c:11,27|
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C |c:11,27|
InChI key: ODKQKCINTCFCGY-VOSAXSBLSA-N
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