Spektraris NMR
(3beta)-3,27-dihydroxyolean-12-en-28-oic acid
Common Name: (3beta)-3,27-dihydroxyolean-12-en-28-oic acid
Synonyms: (3beta)-3,27-dihydroxyolean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=ADBMMSFXIFGNAX-MDAIVZGXSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maillard M., Adewunmi C. O., Hostettman K. Phytochemistry (1992) 31, 1321
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) | 38.1 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.7 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.7 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 129.7 |
| 13 (C) | 137.7 |
| 14 (C) | 47.5 |
| 15 (CH2) | 24.5 |
| 16 (CH2) | 22.4 |
| 17 (C) | 46 |
| 18 (CH) | 40.4 |
| 19 (CH2) | 44.9 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.4 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 18.5 |
| 27 (CH2) | 63 |
| 28 (C) | 183 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.8 |
