(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0^{1,7}.0^{4,19}.0^{13,18}]nonadec-14-ene-9,16-dione, Chaparrinone, 查杷任酮
HIT218833051
sdf文件结构编辑类似物检索
HIT ID: HIT218833051
Cas No: 22611-34-3
分子式: C20H26O7
分子量: 378.421
常用名: (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0^{1,7}.0^{4,19}.0^{13,18}]nonadec-14-ene-9,16-dione, Chaparrinone, 查杷任酮
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.0^{1,7}.0^{4,19}.0^{13,18}]nonadec-14-ene-9,16-dione
SMILES: [H][C@]12[C@@]3(O)OC[C@@]11[C@@]([H])(C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]24C)OC(=O)C[C@@]1([H])[C@@H](C)[C@H]3O
InChI key: VLYMLZRDCSQUQF-RZUZYEBMSA-N
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