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VERNOANTHELCIN-E;(3S,5S,10S,11S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-3,11,24-TRIHYDROXY-STIGMASTA-8,14-DIEN-28-ONE

View entire compound with spectra: 1 NMR

VERNOANTHELCIN-E;(3S,5S,10S,11S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-3,11,24-TRIHYDROXY-STIGMASTA-8,14-DIEN-28-ONE
SpectraBase Compound ID BjmnoOj5xKH
InChI InChI=1S/C29H40O7/c1-13(2)29(34,14(3)30)25-24-21(26(33)36-25)23-20(35-24)11-18-17-7-6-15-10-16(31)8-9-27(15,4)22(17)19(32)12-28(18,23)5/h11,13,15-16,19-21,23-25,31-32,34H,6-10,12H2,1-5H3/t15-,16-,19-,20-,21-,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey VQUNMKTWETUTHZ-OGGBBXILSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H40O7
Exact Mass 500.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SBFGkgMX1C
Name VERNOANTHELCIN-E;(3S,5S,10S,11S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-3,11,24-TRIHYDROXY-STIGMASTA-8,14-DIEN-28-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O7
InChI InChI=1S/C29H40O7/c1-13(2)29(34,14(3)30)25-24-21(26(33)36-25)23-20(35-24)11-18-17-7-6-15-10-16(31)8-9-27(15,4)22(17)19(32)12-28(18,23)5/h11,13,15-16,19-21,23-25,31-32,34H,6-10,12H2,1-5H3/t15-,16-,19-,20-,21-,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey VQUNMKTWETUTHZ-OGGBBXILSA-N
Literature Reference Author L.HUA,W.Y.QI,S.H.HUSSAIN,K.GAO,M.ARFAN
Literature Reference Citation STEROIDS,77,811(2012)
Literature Reference DOI 10.1016/j.steroids.2012.03.003
Molecular Weight 500.632 g/mol
Sample ID 70623
Solvent CDCl3:CD3OD=1:1