Spektraris NMR
(20R)-Taraxastane-3bb,20-diol
Common Name: (20R)-Taraxastane-3bb,20-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-20-26-22-10-11-24-29(6)14-13-25(35-21(2)33)27(3,4)23(29)12-15-31(24,8)30(22,7)18-16-28(26,5)17-19-32(20,9)34/h20,22-26,34H,10-19H2,1-9H3/t20-,22+,23-,24+,25-,26+,28-,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=NFKXHUMWFKSWMA-RMQSMOOGSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Tokuda, H., Ukiya, M., Suzuki, T., Enjo, F., Koike, K., Nikaido, T., Nishino, H. Chem Pharm Bull (2004) 52, 153-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 38.4 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.4 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 28.5 |
| 13 (CH) | 38.9 |
| 14 (C) | 43.1 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 38.4 |
| 17 (C) | 35.7 |
| 18 (CH) | 48 |
| 19 (CH) | 42 |
| 20 (C) | 75.3 |
| 21 (CH2) | 37.8 |
| 22 (CH2) | 40.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 18.5 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 21.5 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.4 |
