Name: Sanguisorbigenin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840776
Cas No:6812-98-2
常用名:Sanguisorbigenin
别名:地榆皂苷元, Ursa-12,19-dien-28-oic acid, Tomentosolic acid, 3β-Hydroxyurs-12,19-dien-28-oic acid, 19-Dehydroursolic acid
别名:地榆皂苷元, Ursa-12,19-dien-28-oic acid, Tomentosolic acid, 3β-Hydroxyurs-12,19-dien-28-oic acid, 19-Dehydroursolic acid
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid
InChI key:HKJOHXSLBNLQHF-OXLNSTONSA-N

分子式:C30H46O3
分子量:454.695
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])C(C)=C(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9,14|
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])C(C)=C(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9,14|

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