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CAESALPIN_F;1-ALPHA,2-ALPHA-DIACETOXY-5-ALPHA-HYDROXY-12-ALPHA-METHOXY-14-ALPHA-METHYLCASSA-13-(15)-EN-16,12-OLIDE
SpectraBase Compound ID 1Whw21Pfkzg
InChI InChI=1S/C25H36O8/c1-13-16-8-9-25(29)22(4,5)12-19(31-14(2)26)21(32-15(3)27)23(25,6)18(16)11-24(30-7)17(13)10-20(28)33-24/h10,13,16,18-19,21,29H,8-9,11-12H2,1-7H3/t13-,16+,18+,19+,21+,23+,24-,25-/m1/s1
InChIKey AZUNDECEAGJFGI-CIPVGGATSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXevRQF94eP
Name CAESALPIN_F;1-ALPHA,2-ALPHA-DIACETOXY-5-ALPHA-HYDROXY-12-ALPHA-METHOXY-14-ALPHA-METHYLCASSA-13-(15)-EN-16,12-OLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-13-16-8-9-25(29)22(4,5)12-19(31-14(2)26)21(32-15(3)27)23(25,6)18(16)11-24(30-7)17(13)10-20(28)33-24/h10,13,16,18-19,21,29H,8-9,11-12H2,1-7H3/t13-,16+,18+,19+,21+,23+,24-,25-/m1/s1
InChIKey AZUNDECEAGJFGI-CIPVGGATSA-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 464.556 g/mol
Sample ID 42579
Solvent CDCl3