Spektraris NMR
3b-Hydroxy-30-nor-olean-12,19-dien-28-oic acid
Common Name: 3b-Hydroxy-30-nor-olean-12,19-dien-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,17,20-23,30H,8-16H2,1-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=YOTBLLHWILNRDE-VSQYQUPVSA-N
Formula: C29H44O3
Molecular Weight: 440.658949
Exact Mass: 440.329045
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang H.B., Yu D.Q., Liang X.T., Watanabe N., Tamal M., Omura S. Planta Med (1989) 55, 303
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) | 39.4 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.9 |
| 8 (C) | 39.4 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.9 |
| 13 (C) | 143.4 |
| 14 (C) | 43.2 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.4 |
| 17 (C) | 46.2 |
| 18 (CH) | 45.6 |
| 19 (CH) | 129.4 |
| 20 (C) | 130.4 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 23.6 |
| 28 (C) | 179.8 |
| 29 (CH3) | 23 |
