Spektraris NMR
3a-Hydroxy-29-oxo-olean-12-en-27-oic acid
Common Name: 3a-Hydroxy-29-oxo-olean-12-en-27-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(28(21,5)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-14-27(20,4)15-16-30(19,29)24(33)34/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=LNGFEBDEYRAODZ-MCLQAGPZSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen T.K., Aics D.C., Baenziger N.C., Wiemer D.F. J Org Chem (1983) 48, 3525-31
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) | 36.7 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 76 |
| 4 (C) | 39.6 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32.9 |
| 8 (C) | 36.7 |
| 9 (CH) | 46.8 |
| 10 (C) | 37 |
| 11 (CH2) | 22.6 |
| 12 (CH) | 126.8 |
| 13 (C) | 136.1 |
| 14 (C) | 55.6 |
| 15 (CH2) | 21.8 |
| 16 (CH2) | 25.3 |
| 17 (C) | 32.7 |
| 18 (CH) | 47.1 |
| 19 (CH2) | 35.1 |
| 20 (C) | 46.6 |
| 21 (CH2) | 24.6 |
| 22 (CH2) | 34.6 |
| 23 (CH3) | 28 |
| 24 (CH3) | 21.9 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.7 |
| 27 (C) | 178.5 |
| 28 (CH3) | 28 |
| 29 (CH) | 206 |
| 30 (CH3) | 15.8 |
