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5-ALPHA-CINNAMYLOXY-10-BETA,13-ALPHA-DIACETOXY-2(3-20)-ABEOTAXA-2-ALPHA,7-BETA-DIHYDROXY-4(20),11-DIEN-9-ONE
SpectraBase Compound ID GVkCCflDnUS
InChI InChI=1S/C33H40O9/c1-18-25(40-19(2)34)15-23-24(36)14-22-17-33(6,31(39)30(41-20(3)35)29(18)32(23,4)5)27(37)16-26(22)42-28(38)13-12-21-10-8-7-9-11-21/h7-14,23-27,30,36-37H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25?,26-,27-,30+,33-/m0/s1
InChIKey WNOWLWNAESNNDL-OYGOIZSTSA-N
Mol Weight 580.7 g/mol
Molecular Formula C33H40O9
Exact Mass 580.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wPxntv57sw
Name 5-ALPHA-CINNAMYLOXY-10-BETA,13-ALPHA-DIACETOXY-2(3-20)-ABEOTAXA-2-ALPHA,7-BETA-DIHYDROXY-4(20),11-DIEN-9-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O9
InChI InChI=1S/C33H40O9/c1-18-25(40-19(2)34)15-23-24(36)14-22-17-33(6,31(39)30(41-20(3)35)29(18)32(23,4)5)27(37)16-26(22)42-28(38)13-12-21-10-8-7-9-11-21/h7-14,23-27,30,36-37H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25?,26-,27-,30+,33-/m0/s1
InChIKey WNOWLWNAESNNDL-OYGOIZSTSA-N
Literature Reference Author Q.W.SHI,T.ORITANI,T.SUGIYAMA,R.MURAKAMI,H.Q.WEI
Literature Reference Citation J.NAT.PROD.,62,1114(1999)
Literature Reference DOI 10.1021/np990106b
Molecular Weight 580.675 g/mol
Solvent CDCl3
Source File Reference UWCP8688