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RUBIATRIOL
SpectraBase Compound ID 3Xq1RIhRpK1
InChI InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1
InChIKey PZBGHZIQCYOWLL-GJOOHKEJSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJHgZMnx8Gg
Name RUBIATRIOL;3-BETA,7-ALPHA,19-ALPHA-TRIHYDROXYFERN-9(11)-ENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,27-,28-,29-,30+/m1/s1
InChIKey PZBGHZIQCYOWLL-GJOOHKEJSA-N
Literature Reference Author M.ARISAWA,H.UENO,M.NIMURA,T.HAYASHI,N.MORITA
Literature Reference Citation J.NAT.PROD.,49,1114(1986)
Literature Reference DOI 10.1021/np50048a027
Molecular Weight 458.725 g/mol
Solvent CDCl3
Source File Reference UWCS7076