Adenostemmoic Acid E

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Catalog Number ACM130217220
CAS 130217-22-0
IUPAC Name (1R,4S,5R,9R,10R,11S,13S,14S)-10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Weight 382.4
Molecular Formula C20H30O7
Canonical SMILES CC1(CCCC2(C1CCC34C2(C(CC(C3)C(C4=O)(CO)O)O)O)C)C(=O)O
Inchi InChI=1S/C20H30O7/c1-16(15(24)25)5-3-6-17(2)12(16)4-7-18-9-11(8-13(22)20(17,18)27)19(26,10-21)14(18)23/h11-13,21-22,26-27H,3-10H2,1-2H3,(H,24,25)/t11-,12-,13+,16-,17-,18+,19-,20-/m1/s1
InChIKey DPPVSQWFKIAOLU-SRAADMLKSA-N
Purity 98%
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