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CAESALPIN_E;1-ALPHA.6-ALPHA-DIACETOXY-5-ALPHA,7-BETA-DIHYDROXY-14-METHYLVOUCAPANE-8(14),9-(11)-DIENE
SpectraBase Compound ID oWB4bAvRuU
InChI InChI=1S/C24H30O7/c1-12-15-8-10-29-17(15)11-16-19(12)20(27)21(31-14(3)26)24(28)22(4,5)9-7-18(23(16,24)6)30-13(2)25/h8,10-11,18,20-21,27-28H,7,9H2,1-6H3/t18-,20+,21-,23-,24+/m0/s1
InChIKey QBYMPSZQBDARHI-ZJLRUGLKSA-N
Mol Weight 430.5 g/mol
Molecular Formula C24H30O7
Exact Mass 430.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnthImUpoKm
Name CAESALPIN_E;1-ALPHA.6-ALPHA-DIACETOXY-5-ALPHA,7-BETA-DIHYDROXY-14-METHYLVOUCAPANE-8(14),9-(11)-DIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30O7
InChI InChI=1S/C24H30O7/c1-12-15-8-10-29-17(15)11-16-19(12)20(27)21(31-14(3)26)24(28)22(4,5)9-7-18(23(16,24)6)30-13(2)25/h8,10-11,18,20-21,27-28H,7,9H2,1-6H3/t18-,20+,21-,23-,24+/m0/s1
InChIKey QBYMPSZQBDARHI-ZJLRUGLKSA-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 430.498 g/mol
Sample ID 42578
Solvent CD3OD