2a,3a,23-Trihydroxyurs-12,20(30)-dien-28-oic acid
HIT217584363
sdf文件结构编辑类似物检索
HIT ID: HIT217584363
Cas No: 143839-01-4
分子式: C30H46O5
分子量: 486.693
常用名: 2a,3a,23-Trihydroxyurs-12,20(30)-dien-28-oic acid
常用名: 2a,3a,23-Trihydroxyurs-12,20(30)-dien-28-oic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC: (1R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)[C@@]2(C)CO
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@@H](O)[C@@]2(C)CO
InChI key: FFMVHFPLIIYYNC-OKSSEWIBSA-N
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