John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Kz5knZCj7q3 SpectraBase Spectrum ID=2c0ZKMzwTLq

(accessed ).
CAESALPIN_H;1-ALPHA,6-ALPHA-DIACETOXY-5-ALPHA,7-BETA-DIHYDROXY-12-ALPHA-METHOXACASSA-14-(17),13-(15)-DIEN-16,12-OLIDE
SpectraBase Compound ID Kz5knZCj7q3
InChI InChI=1S/C25H34O9/c1-12-15-10-18(28)34-24(15,31-7)11-16-19(12)20(29)21(33-14(3)27)25(30)22(4,5)9-8-17(23(16,25)6)32-13(2)26/h10,16-17,19-21,29-30H,1,8-9,11H2,2-7H3/t16-,17-,19-,20+,21-,23-,24+,25+/m0/s1
InChIKey FZORVJMAWWTYLA-JLHWGCSWSA-N
Mol Weight 478.5 g/mol
Molecular Formula C25H34O9
Exact Mass 478.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2c0ZKMzwTLq
Name CAESALPIN_H;1-ALPHA,6-ALPHA-DIACETOXY-5-ALPHA,7-BETA-DIHYDROXY-12-ALPHA-METHOXACASSA-14-(17),13-(15)-DIEN-16,12-OLIDE
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O9
InChI InChI=1S/C25H34O9/c1-12-15-10-18(28)34-24(15,31-7)11-16-19(12)20(29)21(33-14(3)27)25(30)22(4,5)9-8-17(23(16,25)6)32-13(2)26/h10,16-17,19-21,29-30H,1,8-9,11H2,2-7H3/t16-,17-,19-,20+,21-,23-,24+,25+/m0/s1
InChIKey FZORVJMAWWTYLA-JLHWGCSWSA-N
Literature Reference Author G.MA,J.YUAN,H.WU,L.CAO,X.ZHANG,L.XU,H.WEI,L.WU,Q.ZHENG,L.LI, L.ZHANG,J.YANG,X.XU
Literature Reference Citation J.NAT.PROD.,76,1025(2013)
Literature Reference DOI 10.1021/np300918q
Molecular Weight 478.540 g/mol
Sample ID 42581
Solvent CDCl3
SpectraBase Batch ID 6ExcUUhSIZu