SpectraBase Compound ID | IITMtCVzZEM |
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InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
InChIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
Mol Weight | 456.7 g/mol |
Molecular Formula | C30H48O3 |
Exact Mass | 456.360345 g/mol |
SpectraBase Spectrum ID | 54Aar5pKney |
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Name | Betulinic acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 855057 |
CAS Registry Number | 472-15-1 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C30H48O3 |
InChI | InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
InChIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
Observed nucleus | 1H |
Purity | 90% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3beta-Hydroxy-20(29)-lupaene-28-oic acid |
Wiley ID | SIAL_1HNMR_010392 |