Quassinoid SUN 0237
Molecular Formula:
C32H44O9
InChI: InChI=1/C32H44O9/c1-5-6-7-8-9-10-11-12-13-14-23(34)41-25-24-19(3)26(35)32(38)29-30(4)20(18(2)15-21(33)27(30)36)16-22(40-28(25)37)31(24,29)17-39-32/h12-13,15,20,22,24-27,29,35-36,38H,3,5-11,14,16-17H2,1-2,4H3/b13-12+/t20-,22+,24+,25+,26+,27+,29+,30+,31-,32?/m0/s1
InChIKey: InChIKey=RULBXOABLNFKRW-CBVGSOAMBT
SMILES: CCCCCCCCC=CCC(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O
Names:
NSC368671
Quassinoid SUN 0237
Registries:
PubChem CID 5458870
PubChem ID 8141497
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