Spektraris NMR
1α,3β-Hydroxyimberbic acid
Common Name: 1α,3β-Hydroxyimberbic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)20-10-11-29(6)21(30(20,7)23(32)16-22(25)31)9-8-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-28(18,29)5/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,23-,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=YOGJVTKYACIRSN-GVGLLMECSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katerere, D.R., Gray, A.I., Nash, R.J., Waigh, R.D. Phytochemistry (2003) 63, 81-8
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 (CH) | 72.7 |
| 2 (CH2) | 35.8 |
| 3 (CH) | 71.8 |
| 4 (C) | 40 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.8 |
| 8 (C) | 39.7 |
| 9 (CH) | 38.3 |
| 10 (C) | 42.5 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123.3 |
| 13 (C) | 144.5 |
| 14 (C) | 41.5 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 27.4 |
| 17 (C) | 32.8 |
| 18 (CH) | 46.7 |
| 19 (CH2) | 41.6 |
| 20 (C) | 42.8 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 28.9 |
| 29 (C) | 181.4 |
| 30 (CH3) | 20.1 |
