Secaubryenol | CAS 925932-08-7 | AnyMole

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HIT212670368

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HIT212670368

HIT ID:HIT212670368
Cas No:925932-08-7
常用名:Secaubryenol
IUPAC:3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
IUPAC:3-[(1S,4R,5R,8S,9S,12R,13R)-12-(3-hydroxyprop-1-en-2-yl)-4,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[7.5.0.0^{1,13}.0^{4,8}]tetradecan-13-yl]propanoic acid
InChI key:JFCYFLMAPFEZKC-RISGNIHZSA-N

分子式:C30H48O3
分子量:456.711
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.438062
SMILES:[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6]-[#6@@H](-[#6](=[#6])-[#6]-[#8])[C@@]4([#6]-[#6]-[#6](-[#8])=O)[#6][C@@]34[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
SMILES:[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6]-[#6@@H](-[#6](=[#6])-[#6]-[#8])[C@@]4([#6]-[#6]-[#6](-[#8])=O)[#6][C@@]34[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]

Secaubryenol is a 3,4-secocycloartane triterpenes isolated from Coussarea macrophylla.

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