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VERNOANTHELCIN-I;(5S,10S,13R,17R,20S,21R,22R,23S,24R)-21,23;22,28-DIEPOXY-21,24-DIHYDROXY-STIGMASTA-8,14-DIEN-3-ONE
SpectraBase Compound ID 2fdb7UivYpp
InChI InChI=1S/C29H42O5/c1-15(2)29(32)16(3)33-24-23(26(31)34-25(24)29)22-9-8-20-19-7-6-17-14-18(30)10-12-27(17,4)21(19)11-13-28(20,22)5/h8,15-17,22-26,31-32H,6-7,9-14H2,1-5H3/t16-,17+,22-,23+,24-,25+,26+,27+,28+,29-/m1/s1
InChIKey SNZJQXOZSLAYNQ-SSNIBFRMSA-N
Mol Weight 470.7 g/mol
Molecular Formula C29H42O5
Exact Mass 470.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Q4LshO2yfz
Name VERNOANTHELCIN-I;(5S,10S,13R,17R,20S,21R,22R,23S,24R)-21,23;22,28-DIEPOXY-21,24-DIHYDROXY-STIGMASTA-8,14-DIEN-3-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O5
InChI InChI=1S/C29H42O5/c1-15(2)29(32)16(3)33-24-23(26(31)34-25(24)29)22-9-8-20-19-7-6-17-14-18(30)10-12-27(17,4)21(19)11-13-28(20,22)5/h8,15-17,22-26,31-32H,6-7,9-14H2,1-5H3/t16-,17+,22-,23+,24-,25+,26+,27+,28+,29-/m1/s1
InChIKey SNZJQXOZSLAYNQ-SSNIBFRMSA-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 470.649 g/mol
Sample ID 70627
Solvent CDCl3