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CAESALPIN_G;1-ALPHA-ACETOXY-5-ALPHA,7-BETA-DIHYDROXY-12-ALPHA-METHOXACASSA-14-(17),13-(15)-DIEN-16,12-OLIDE
SpectraBase Compound ID AAmOQ5dGzrj
InChI InChI=1S/C23H32O7/c1-12-14-9-18(26)30-22(14,28-6)10-15-19(12)16(25)11-23(27)20(3,4)8-7-17(21(15,23)5)29-13(2)24/h9,15-17,19,25,27H,1,7-8,10-11H2,2-6H3/t15-,16-,17-,19-,21-,22+,23+/m0/s1
InChIKey PNXUMPQOTPQZRA-VZPKLHRHSA-N
Mol Weight 420.5 g/mol
Molecular Formula C23H32O7
Exact Mass 420.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKlUy2txA5n
Name CAESALPIN_G;1-ALPHA-ACETOXY-5-ALPHA,7-BETA-DIHYDROXY-12-ALPHA-METHOXACASSA-14-(17),13-(15)-DIEN-16,12-OLIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O7
InChI InChI=1S/C23H32O7/c1-12-14-9-18(26)30-22(14,28-6)10-15-19(12)16(25)11-23(27)20(3,4)8-7-17(21(15,23)5)29-13(2)24/h9,15-17,19,25,27H,1,7-8,10-11H2,2-6H3/t15-,16-,17-,19-,21-,22+,23+/m0/s1
InChIKey PNXUMPQOTPQZRA-VZPKLHRHSA-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 420.503 g/mol
Sample ID 42580
Solvent CDCl3