Spektraris NMR
23-hydroxybetulinic acid
Common Name: 23-hydroxybetulinic acid
Synonyms: 23-hydroxybetulinic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=HXWLKAXCQLXHML-WGOZWDAUSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ikuta A. , Itokawa H. Phytochemistry (1988) 27, 2813
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) | 39.2 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 73.6 |
| 4 (C) | 42.9 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.6 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 38.7 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.7 |
| 18 (CH) | 47.8 |
| 19 (CH) | 49.7 |
| 20 (C) | 151.4 |
| 21 (CH2) | 31.8 |
| 22 (CH2) | 37.6 |
| 23 (CH2) | 68.2 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.9 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.5 |
