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

View entire compound with spectra: 1 NMR

VERNOANTHELCIN-B;(3R,5S,10S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-3,24-DIHYDROXY-STIGMASTA-8,14-DIEN-28-ONE
SpectraBase Compound ID 1ti08AhwIPE
InChI InChI=1S/C29H40O6/c1-14(2)29(33,15(3)30)25-24-22(26(32)35-25)23-21(34-24)13-20-18-7-6-16-12-17(31)8-10-27(16,4)19(18)9-11-28(20,23)5/h13-14,16-17,21-25,31,33H,6-12H2,1-5H3/t16-,17+,21-,22-,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey JHLZEFPEROQOHV-DCGZGIOFSA-N
Mol Weight 484.6 g/mol
Molecular Formula C29H40O6
Exact Mass 484.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2Q4b3SU6GA
Name VERNOANTHELCIN-B;(3R,5S,10S,13R,16R,17S,20S,22R,23S,24S)-16,22-EPOXY-21,23-LACTONE-3,24-DIHYDROXY-STIGMASTA-8,14-DIEN-28-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O6
InChI InChI=1S/C29H40O6/c1-14(2)29(33,15(3)30)25-24-22(26(32)35-25)23-21(34-24)13-20-18-7-6-16-12-17(31)8-10-27(16,4)19(18)9-11-28(20,23)5/h13-14,16-17,21-25,31,33H,6-12H2,1-5H3/t16-,17+,21-,22-,23+,24+,25-,27-,28-,29+/m0/s1
InChIKey JHLZEFPEROQOHV-DCGZGIOFSA-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 484.633 g/mol
Sample ID 70620
Solvent CDCl3