Spektraris NMR
3alpha,25-Dihydroxyoleana-12-ene-28-oic acid
Common Name: 3alpha,25-Dihydroxyoleana-12-ene-28-oic acid
Synonyms: 3alpha,25-Dihydroxyoleana-12-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)13-15-29(24(33)34)16-14-27(5)19(20(29)17-25)7-8-22-28(27,6)11-9-21-26(3,4)23(32)10-12-30(21,22)18-31/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22-,23+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=ZVNHGZQUXCHNLK-JDBAKTTMSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakai, K., Fukuda, Y., Matsunaga, S., Tanaka, R., Yamori, T. J Nat Prod (2004) 67, 1088-93
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) | 27.8 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.2 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 32.6 |
| 8 (C) | 39.6 |
| 9 (CH) | 48 |
| 10 (C) | 41.4 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 122.8 |
| 13 (C) | 143.6 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 22.9 |
| 17 (C) | 46.4 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 45.8 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 33.01 |
| 25 (CH2) | 61.5 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 26.5 |
| 28 (C) | 181.5 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
