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VERNOANTHELCIN-H;(3S,5S,10S,13R,17S,23S,24S)-21,23-LACTONE-3,24-DIHYDROXY-STIGMASTA-8,14,20-TRIEN-28-ONE
SpectraBase Compound ID HjNxyrjirCr
InChI InChI=1S/C29H40O5/c1-16(2)29(33,17(3)30)25-15-21(26(32)34-25)23-9-8-22-20-7-6-18-14-19(31)10-12-27(18,4)24(20)11-13-28(22,23)5/h8,15-16,18-19,23,25,31,33H,6-7,9-14H2,1-5H3/t18-,19-,23+,25-,27-,28-,29+/m0/s1
InChIKey UWRQIHBKLUXGDM-MPSCIPCNSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpvQ35n18lg
Name VERNOANTHELCIN-H;(3S,5S,10S,13R,17S,23S,24S)-21,23-LACTONE-3,24-DIHYDROXY-STIGMASTA-8,14,20-TRIEN-28-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-16(2)29(33,17(3)30)25-15-21(26(32)34-25)23-9-8-22-20-7-6-18-14-19(31)10-12-27(18,4)24(20)11-13-28(22,23)5/h8,15-16,18-19,23,25,31,33H,6-7,9-14H2,1-5H3/t18-,19-,23+,25-,27-,28-,29+/m0/s1
InChIKey UWRQIHBKLUXGDM-MPSCIPCNSA-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 468.634 g/mol
Sample ID 70626
Solvent CDCl3