John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=19uVf37EQZc SpectraBase Spectrum ID=2VKfVF5GeAM

(accessed ).
2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12,19(29)-DIEN-28-OIC-ACID
SpectraBase Compound ID 19uVf37EQZc
InChI InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17,20-24,31-33H,2,8-16H2,1,3-6H3,(H,34,35)/t17-,20-,21?,22?,23?,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey BWBFXBKJKAGLJS-TWMZTZKISA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VKfVF5GeAM
Name 2-ALPHA,3-BETA,23-TRIHYDROXY-URS-12,19(29)-DIEN-28-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17,20-24,31-33H,2,8-16H2,1,3-6H3,(H,34,35)/t17-,20-,21?,22?,23?,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey BWBFXBKJKAGLJS-TWMZTZKISA-N
Literature Reference Author N.D.TOMMASI,L.RASTRELLI,M.R.LAURO,R.AQUINO
Literature Reference Citation PHYTOCHEM.,49,1123(1998)
Literature Reference DOI 10.1016/S0031-9422(97)01060-1
Molecular Weight 486.692 g/mol
Solvent CD3OD
Source File Reference UWLU437
SpectraBase Batch ID LcxTqHIETCU