John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F8mo8e8QGKZ SpectraBase Spectrum ID=2886ApIxKcQ

(accessed ).
OBTUSOL;3-BETA,27-DIHYDROXY-URS-12-ENE
SpectraBase Compound ID F8mo8e8QGKZ
InChI InChI=1S/C30H50O2/c1-19-10-13-27(5)16-17-30(18-31)21(25(27)20(19)2)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey MJYXNLJVQSSJFM-QPHOTFDHSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2886ApIxKcQ
Name OBTUSOL;3-BETA,27-DIHYDROXY-URS-12-ENE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19-10-13-27(5)16-17-30(18-31)21(25(27)20(19)2)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey MJYXNLJVQSSJFM-QPHOTFDHSA-N
Literature Reference Author B.S.SIDDIQUI,X.FIRDOUS,S.BEGUM
Literature Reference Citation PHYTOCHEM.,52,1111(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00270-8
Molecular Weight 442.726 g/mol
Solvent CDCl3
Source File Reference UWVN522
SpectraBase Batch ID F6OKG1rkN5u