John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IUoHNNEWRQW SpectraBase Spectrum ID=10YEik7cCgf

(accessed ).
3-EPI-SKIMMIAREPIN-A;21,23:24,25-DIEPOXY-3-O-ISOVALEROYL-14,18-CYCLOAPOTIRUCALLA-3-BETA,7-ALPHA,21-TRIOL;MAJOR-COMPONENT
SpectraBase Compound ID IUoHNNEWRQW
InChI InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28+,29?,32+,33-,34+,35+/m0/s1
InChIKey LEZNRZJCVJRZHO-JISWJPRBSA-N
Mol Weight 572.8 g/mol
Molecular Formula C35H56O6
Exact Mass 572.40769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10YEik7cCgf
Name 3-EPI-SKIMMIAREPIN-A;21,23:24,25-DIEPOXY-3-O-ISOVALEROYL-14,18-CYCLOAPOTIRUCALLA-3-BETA,7-ALPHA,21-TRIOL;MAJOR-COMPONENT
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H56O6
InChI InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28+,29?,32+,33-,34+,35+/m0/s1
InChIKey LEZNRZJCVJRZHO-JISWJPRBSA-N
Literature Reference Author C.KAMPERDICK,T.P.LIEN,G.ADAM,T.V.SUNG
Literature Reference Citation J.NAT.PROD.,66,675(2003)
Literature Reference DOI 10.1021/np020458+
Molecular Weight 572.826 g/mol
Solvent CDCl3
Source File Reference UWSI7765
SpectraBase Batch ID 6q4kiD2dlIg