Maoecrystal A
HIT212664545
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HIT ID: HIT212664545
Cas No: 96850-30-5
分子式: C22H28O6
分子量: 388.46
常用名: Maoecrystal A
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 1.6607099
IUPAC: (1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-yl acetate
IUPAC: (1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-yl acetate
SMILES: CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
SMILES: CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
InChI key: DCULYKVTBAXAER-XETVFITMSA-N
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