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21-ALPHA-METHYL-MELIANODIOL;(21R,23R)-EPOXY-(24S)-HYDROXY-21-ALPHA-METHOXY-TIRUCALLA-7-EN-3-ONE
SpectraBase Compound ID GEahqGFSmVz
InChI InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3/t18-,19+,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1
InChIKey NYUZBOBAGWNMHW-QAKGACGRSA-N
Mol Weight 502.7 g/mol
Molecular Formula C31H50O5
Exact Mass 502.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0YKT78WAev
Name 21-ALPHA-METHYL-MELIANODIOL;(21R,23R)-EPOXY-(24S)-HYDROXY-21-ALPHA-METHOXY-TIRUCALLA-7-EN-3-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O5
InChI InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3/t18-,19+,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1
InChIKey NYUZBOBAGWNMHW-QAKGACGRSA-N
Literature Reference Author G.H.XU,J.A.KIM,S.Y.KIM,J.C.RYU,Y.S.KIM,S.H.JUNG,M.K.KIM,S.H. LEE
Literature Reference Citation CHEM.PHARM.BULL.,56,839(2008)
Literature Reference DOI 10.1248/cpb.56.839
Molecular Weight 502.735 g/mol
Sample ID 1800
Solvent CDCl3