Spektraris NMR
3-Oxo-28-hydroxyoleana-12-ene-29-oic acid
Common Name: 3-Oxo-28-hydroxyoleana-12-ene-29-oic acid
Synonyms: 3-Oxo-28-hydroxyoleana-12-ene-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,24(33)34)13-15-30(20,18-31)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=HVLPFRAXQYBRJO-SIBVWYKESA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.Q., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y.F., Li, D. Tetrahedron (2001) 57, 8413-24
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) | 39.3 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.9 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.1 |
| 8 (C) | 39.8 |
| 9 (CH) | 46.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123.3 |
| 13 (C) | 143.2 |
| 14 (C) | 41.9 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 22.2 |
| 17 (C) | 36.9 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 39.9 |
| 20 (C) | 42.4 |
| 21 (CH2) | 28.5 |
| 22 (CH2) | 29.8 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 25.4 |
| 28 (CH2) | 69 |
| 29 (C) | 184.5 |
| 30 (CH3) | 19.2 |
