12-Deoxyphorbol 13-palmitate
HIT218903766
sdf文件结构编辑类似物检索
HIT ID: HIT218903766
Cas No:
分子式: C36H58O6
分子量: 586.854
常用名: 12-Deoxyphorbol 13-palmitate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl hexadecanoate
IUPAC: (1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl hexadecanoate
SMILES: [H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)C[C@@]1(OC(=O)CCCCCCCCCCCCCCC)C2(C)C
SMILES: [H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)C[C@@]1(OC(=O)CCCCCCCCCCCCCCC)C2(C)C
InChI key: QUVRUINWOFZNJL-IEIRSVMLSA-N
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