Spektraris NMR
3beta-Hydroxyoleana-12,15-diene-28-oic acid
Common Name: 3beta-Hydroxyoleana-12,15-diene-28-oic acid
Synonyms: 3beta-Hydroxyoleana-12,15-diene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,15,17,20-23,31H,9-14,16,18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=XFFPNAXLPRDBCG-GTOFXWBISA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bhattacharyya J. , Cunha E. V. L. Phytochemistry (1992) 31, 2546
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.1 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.5 |
| 5 (CH) | 56 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.8 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123 |
| 13 (C) | 141.7 |
| 14 (C) | 44.8 |
| 15 (CH) | 129.9 |
| 16 (CH) | 134.9 |
| 17 (C) | 44 |
| 18 (CH) | 42.9 |
| 19 (CH2) | 47.9 |
| 20 (C) | 30.8 |
| 21 (CH2) | 35.2 |
| 22 (CH2) | 33.5 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.1 |
| 28 (C) | 178.4 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 23.5 |
