Resinacein C
HIT219228839
sdf文件结构编辑类似物检索
HIT ID: HIT219228839
Cas No: 1309931-92-7
分子式: C30H46O5
分子量: 486.693
常用名: Resinacein C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2E,6R)-6-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
IUPAC: (2E,6R)-6-[(1R,3S,3aR,5aR,7S,9aS,11aR)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
SMILES: [H][C@@]1(C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC\C=C(/C)C(O)=O
SMILES: [H][C@@]1(C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC\C=C(/C)C(O)=O
InChI key: UWDVMOLJNPVFQA-WWYQREENSA-N
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