Sphaeropsidin A
HIT212718310
sdf文件结构编辑类似物检索
HIT ID: HIT212718310
Cas No: 38991-80-9
分子式: C20H26O5
分子量: 346.423
常用名: Sphaeropsidin A
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.1160223
IUPAC: (1R,2R,5R,9S,10S)-5-ethenyl-2,9-dihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadec-6-ene-8,15-dione
IUPAC: (1R,2R,5R,9S,10S)-5-ethenyl-2,9-dihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadec-6-ene-8,15-dione
SMILES: [H][C@@]12[C@]3(O)OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C1C3=O |c:24|
SMILES: [H][C@@]12[C@]3(O)OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C1C3=O |c:24|
InChI key: FEKFUWWVNCCROX-SQWSIXGCSA-N
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