Spektraris NMR
3-b-hydroxy-28,19b-oleanolide
Common Name: 3-b-hydroxy-28,19b-oleanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22-,23-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=BVJDDPRBYGBPKD-CGGBFJIKSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pathak, A., Kulshreshtha, D.K., Maurya, R. Phytochemistry (2004) 65, 2153-8
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) | 38.9 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.8 |
| 4 (C) | 40.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40.7 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.5 |
| 13 (CH) | 35.9 |
| 14 (C) | 38.8 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 26.4 |
| 17 (C) | 46 |
| 18 (CH) | 46.6 |
| 19 (CH) | 85.9 |
| 20 (C) | 33.5 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 25.4 |
| 26 (CH3) | 15.3 |
| 27 (CH3) | 16.4 |
| 28 (C) | 179.8 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 27.9 |
