Name: 23-Hydroxylongispinogenin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212665144
Cas No:42483-24-9
常用名:23-Hydroxylongispinogenin
别名:23-羟基龙吉苷元, (3BETA,4ALPHA,16BETA)-齐墩果-12-烯-3,16,23,28-四醇
别名:23-羟基龙吉苷元, (3BETA,4ALPHA,16BETA)-齐墩果-12-烯-3,16,23,28-四醇
IUPAC:(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8-diol
IUPAC:(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8-diol
InChI key:IACGAAXNDKIGSX-FMGQVEPTSA-N

分子式:C30H50O4
分子量:474.726
氢键供体数 (HBD):4
氢键受体数 (HBA):4
LogP:3.6107874
SMILES:[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C |t:18|
SMILES:[H][C@@]12CC(C)(C)CC[C@]1(CO)[C@@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C |t:18|

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