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COMNOSTIN-A;5-[(5-CARBOXY-2-HYDROXY)-BENZYL]-11-HYDROXY-METHYL-2,5,6,8A,11-PENTA-METHYL-DODECA-HYDRO-CYCLO-PENTA-(A)-NAPHTHALENE
SpectraBase Compound ID 6qO0CSvzbYZ
InChI InChI=1S/C27H40O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,17,21-22,28-29H,8-13,15-16H2,1-5H3,(H,30,31)/t17-,21?,22?,24+,25+,26-,27-/m1/s1
InChIKey GADPAHOVYVZUKK-YIZMITPNSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol
Enantiomer InChIKey GADPAHOVYVZUKK-HLUJXUJQSA-N
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