20(S),24(R)-Ocotillol
HIT214314455
sdf文件结构编辑类似物检索
HIT ID: HIT214314455
Cas No: 69926-31-4
分子式: C30H52O5
分子量: 492.741
常用名: 20(S),24(R)-Ocotillol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,11-triol
IUPAC: (1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7,11-triol
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@@H](O)C[C@@]21C)[C@]1(C)CC[C@@H](O1)C(C)(C)O
SMILES: [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@@H](O)C[C@@]21C)[C@]1(C)CC[C@@H](O1)C(C)(C)O
InChI key: XIGBHUXQOPWGDK-HTGHARJWSA-N
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