3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol
HIT214312376
sdf文件结构编辑类似物检索
HIT ID: HIT214312376
Cas No: 672941-64-9
分子式: C30H42O5
分子量: 482.661
常用名: 3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol
常用名: 3-O-(2'E ,4'Z-decadienoyl)-20-deoxyingenol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl (2E,4Z)-deca-2,4-dienoate
IUPAC: (4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl (2E,4Z)-deca-2,4-dienoate
SMILES: CCCCC\C=C/C=C/C(=O)O[C@H]1C(C)=CC23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(C)[C@@H](O)[C@]12O)C3=O)C4(C)C |c:14,t:23|
SMILES: CCCCC\C=C/C=C/C(=O)O[C@H]1C(C)=CC23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(C)[C@@H](O)[C@]12O)C3=O)C4(C)C |c:14,t:23|
InChI key: JZIBSDBSLIKLEM-RHAGRAESSA-N
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