Spektraris NMR
Betulinic acid
Common Name: Betulinic acid
Synonyms:
CAS Registry Number:
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: InChIKey=QGJZLNKBHJESQX-FZFNOLFKSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Yoshioka, K., Saiki, Y., Ikuta, A., Satake, T. Phytochemistry (1997) 44, 141-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.3 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 38.6 |
| 14 (C) | 42.8 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.6 |
| 18 (CH) | 47.8 |
| 19 (CH) | 49.8 |
| 20 (C) | 151.3 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.9 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.4 |
