John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LtDTpFk15pt SpectraBase Spectrum ID=2AsDWWwU2YD

(accessed ).
(22S)-3-ALPHA,16-ALPHA,20,22,25-PENTAHYDROXY-(10-ALPHA)-CUCURBITA-5,23T-DIEN-11-ONE
SpectraBase Compound ID LtDTpFk15pt
InChI InChI=1S/C30H48O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-22,24,31-33,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,21-,22+,24+,27+,28-,29+,30?/m1/s1
InChIKey SXMIZVLPJHKDBG-AINUSKJVSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H48O6
Exact Mass 504.34509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AsDWWwU2YD
Name (22S)-3-ALPHA,16-ALPHA,20,22,25-PENTAHYDROXY-(10-ALPHA)-CUCURBITA-5,23T-DIEN-11-ONE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O6
InChI InChI=1S/C30H48O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-22,24,31-33,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,21-,22+,24+,27+,28-,29+,30?/m1/s1
InChIKey SXMIZVLPJHKDBG-AINUSKJVSA-N
Literature Reference Author H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ
Literature Reference Citation PHYTOCHEM.,33,437(1993)
Literature Reference DOI 10.1016/0031-9422(93)85535-Y
Molecular Weight 504.708 g/mol
Solvent CDCl3
Source File Reference UWVN6413
SpectraBase Batch ID F7GTXQdkHNq