Spektraris NMR
3-Keto,16a-hydroxy,24-noroleanolic acid
Common Name: 3-Keto,16a-hydroxy,24-noroleanolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O4/c1-17-18-9-12-27(5)22(26(18,4)11-10-21(17)30)8-7-19-20-15-25(2,3)13-14-29(20,24(32)33)23(31)16-28(19,27)6/h7,17-18,20,22-23,31H,8-16H2,1-6H3,(H,32,33)/t17-,18-,20-,22+,23+,26-,27+,28+,29+/m0/s1
InChIKey: InChIKey=RVBCCBBWGJZXNN-XZCVLLCJSA-N
Formula: C29H44O4
Molecular Weight: 456.658354
Exact Mass: 456.32396
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jia, Z.H., Koike, K., Kudo, M., Li, H.Y., Nikaido, T. Phytochemistry (1998) 48, 529-36
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) | 40.2 |
| 2 (CH2) | 37.6 |
| 3 (C) | 212 |
| 4 (CH) | 44.7 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 32.3 |
| 8 (C) | 39.6 |
| 9 (CH) | 44.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 22.2 |
| 12 (CH) | 122.3 |
| 13 (C) | 145.3 |
| 14 (C) | 42.3 |
| 15 (CH2) | 36.2 |
| 16 (CH) | 74.7 |
| 17 (C) | 48.9 |
| 18 (CH) | 41.6 |
| 19 (CH2) | 47.3 |
| 20 (C) | 31.1 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 32.9 |
| 23 (CH3) | 12 |
| 25 (CH3) | 13.1 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 27.2 |
| 28 (C) | 180 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 24.8 |
