Spektraris NMR
3b,24-Dihydroxyolean-12-en-22-on-29-oic acid
Common Name: 3b,24-Dihydroxyolean-12-en-22-on-29-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,25-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=MVTZJCYINFKILV-IMMOWNMXSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kang S.S., Woo W.S J Nat Prod (1988) 51, 335
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) | 38.8 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 80.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.3 |
| 8 (C) | 41.2 |
| 9 (CH) | 47.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 125.1 |
| 13 (C) | 141.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 27.6 |
| 17 (C) | 40.1 |
| 18 (CH) | 46 |
| 19 (CH2) | 40 |
| 20 (C) | 47.1 |
| 21 (CH2) | 44.4 |
| 22 (C) | 217.4 |
| 23 (CH3) | 22.7 |
| 24 (CH2) | 64.7 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 25.6 |
| 28 (CH3) | 20.6 |
| 29 (C) | 179.5 |
| 30 (CH3) | 20.8 |
