Camelliagenin A 16-tiglate
HIT218887119
sdf文件结构编辑类似物检索
HIT ID: HIT218887119
Cas No: 87387-63-1
分子式: C35H56O5
分子量: 556.828
常用名: Camelliagenin A 16-tiglate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,4aS,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl (2E)-2-methylbut-2-enoate
IUPAC: (4S,4aS,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-4,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl (2E)-2-methylbut-2-enoate
SMILES: [H][C@@]12CC(C)(C)C[C@H](O)[C@]1(CO)[C@@H](C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)OC(=O)C(\C)=C\C
SMILES: [H][C@@]12CC(C)(C)C[C@H](O)[C@]1(CO)[C@@H](C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)OC(=O)C(\C)=C\C
InChI key: NOGAQDMSIHEEHK-OJRBPPSDSA-N
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