John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7HnZQwDelOm SpectraBase Spectrum ID=1j1K6G5f8ik

(accessed ).
2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-28-NOR-URS-12-ENE
SpectraBase Compound ID 7HnZQwDelOm
InChI InChI=1S/C29H48O3/c1-17-8-9-18-12-14-27(5)19(23(18)29(17,7)32)10-11-22-26(4)16-20(30)24(31)25(2,3)21(26)13-15-28(22,27)6/h10,17-18,20-24,30-32H,8-9,11-16H2,1-7H3/t17-,18-,20-,21+,22-,23-,24+,26+,27-,28-,29-/m1/s1
InChIKey JCCNBMSYOQTOON-DOIBIPPYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j1K6G5f8ik
Name 2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-28-NOR-URS-12-ENE
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-17-8-9-18-12-14-27(5)19(23(18)29(17,7)32)10-11-22-26(4)16-20(30)24(31)25(2,3)21(26)13-15-28(22,27)6/h10,17-18,20-24,30-32H,8-9,11-16H2,1-7H3/t17-,18-,20-,21+,22-,23-,24+,26+,27-,28-,29-/m1/s1
InChIKey JCCNBMSYOQTOON-DOIBIPPYSA-N
Literature Reference Author Y.F.HAN,J.PAN,K.GAO,Z.J.JIA
Literature Reference Citation CHEM.PHARM.BULL.,53,1338(2005)
Literature Reference DOI 10.1248/cpb.53.1338
Molecular Weight 444.698 g/mol
Sample ID 33219
Solvent CD3OD
SpectraBase Batch ID 5jlsRv6ZWfq