Serratenediol diacetate
HIT214312009
sdf文件结构编辑类似物检索
HIT ID: HIT214312009
Cas No: 27832-84-4
分子式: C34H54O4
分子量: 526.802
常用名: Serratenediol diacetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-(acetyloxy)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0^{3,12}.0^{6,11}.0^{16,21}]tricos-1(23)-en-8-yl acetate
IUPAC: (3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-(acetyloxy)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0^{3,12}.0^{6,11}.0^{16,21}]tricos-1(23)-en-8-yl acetate
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@H]23)OC(C)=O)C1(C)C |t:15|
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@H]23)OC(C)=O)C1(C)C |t:15|
InChI key: BTPGAEAWTQOUIO-CXEBUEIGSA-N
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