Ponicidin
HIT213840667
sdf文件结构编辑类似物检索
HIT ID: HIT213840667
Cas No: 52617-37-5
分子式: C20H26O6
分子量: 362.422
常用名: Ponicidin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.0^{1,15}.0^{2,8}.0^{5,9}.0^{8,13}]nonadecan-7-one
IUPAC: (2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.0^{1,15}.0^{2,8}.0^{5,9}.0^{8,13}]nonadecan-7-one
SMILES: [H][C@]12O[C@@]3([H])O[C@]4(O)[C@@H](O)[C@]5([H])C(C)(C)CC[C@H](O)C35[C@]3([H])CC[C@H]1C(=C)C(=O)[C@@]243 |TLB:27:29:8.10:5.3,9:8:5.3:29.20,12:10:5.3:29.20,1:29:8.10:5.3,22:20:6.5:2.1,THB:7:6:2.1:19.20,8:6:2.1:19.20,10:19:6.5:2.1,17:19:6.5:2.1,2:3:8.10:29.20,24:1:6.5:19.20|
SMILES: [H][C@]12O[C@@]3([H])O[C@]4(O)[C@@H](O)[C@]5([H])C(C)(C)CC[C@H](O)C35[C@]3([H])CC[C@H]1C(=C)C(=O)[C@@]243 |TLB:27:29:8.10:5.3,9:8:5.3:29.20,12:10:5.3:29.20,1:29:8.10:5.3,22:20:6.5:2.1,THB:7:6:2.1:19.20,8:6:2.1:19.20,10:19:6.5:2.1,17:19:6.5:2.1,2:3:8.10:29.20,24:1:6.5:19.20|
InChI key: WHRDRHNMTIXZNY-AMOJAPPFSA-N
共显示3个结果
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TargetMol
SC
5681-3天 购物车
AnyMole
SC
3900 购物车
Mcule
SC
7754-5周 购物车
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