Spektraris NMR
3β,23,24-trihydroxyolean-12-en-28-oic acid
Common Name: 3β,23,24-trihydroxyolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)12-14-29(24(34)35)15-13-27(4)19(20(29)16-25)6-7-21-26(3)10-9-23(33)30(17-31,18-32)22(26)8-11-28(21,27)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20-,21+,22+,23-,26+,27+,28+,29-/m0/s1
InChIKey: InChIKey=OHJPCHGKSLDGLV-QAUULUIQSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fang, S.Y., He, Z.S., Fan, G.J. J Nat Prod (1996) 59, 304-7
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) | 38.6 |
| 2 (CH2) | 28 |
| 3 (CH) | 74.1 |
| 4 (C) | 46.8 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33 |
| 8 (C) | 39.6 |
| 9 (CH) | 48.1 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 122.3 |
| 13 (C) | 144.6 |
| 14 (C) | 41.8 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 23.9 |
| 17 (C) | 46.3 |
| 18 (CH) | 41.9 |
| 19 (CH2) | 46.5 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 63.1 |
| 24 (CH2) | 63.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 25.9 |
| 28 (C) | 180 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.6 |
