Ingenol-5,20-acetonide-3-O-angelate
HIT214314422
sdf文件结构编辑类似物检索
HIT ID: HIT214314422
Cas No: 87980-68-5
分子式: C28H38O6
分子量: 470.606
常用名: Ingenol-5,20-acetonide-3-O-angelate
常用名: Ingenol-5,20-acetonide-3-O-angelate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4S,5S,6R,13R,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl (2Z)-2-methylbut-2-enoate
IUPAC: (1S,4S,5S,6R,13R,14R,16R,18R)-5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.0^{1,5}.0^{6,11}.0^{14,16}]nonadeca-2,11-dien-4-yl (2Z)-2-methylbut-2-enoate
SMILES: [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@]3([H])OC(C)(C)OCC3=C[C@@H](C4=O)[C@]1([H])C2(C)C |c:29,t:6|
SMILES: [H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@]3([H])OC(C)(C)OCC3=C[C@@H](C4=O)[C@]1([H])C2(C)C |c:29,t:6|
InChI key: STFFIQHUWFISBB-VJHFNTGZSA-N
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