Spektraris NMR
6b-Hydroxytaraxasta-20-en-3-one
Common Name: 6b-Hydroxytaraxasta-20-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18-11-13-27(5)15-16-29(7)20(24(27)19(18)2)9-10-22-28(6)14-12-23(32)26(3,4)25(28)21(31)17-30(22,29)8/h11,19-22,24-25,31H,9-10,12-17H2,1-8H3/t19-,20-,21-,22-,24+,25+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=NHVBRVMNGMPCEO-IBPYKDARSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Flagg, M.L., Valcic, S., Montenegro, G., Gomez, M., Timmermann, B.N. Phytochemistry (1999) 52, 1345-50
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) | 42.2 |
| 2 (CH2) | 34.8 |
| 3 (C) | 213.2 |
| 4 (C) | 49.4 |
| 5 (CH) | 56.8 |
| 6 (CH) | 68.5 |
| 7 (CH2) | 42.5 |
| 8 (C) | 40.7 |
| 9 (CH) | 51 |
| 10 (C) | 37.2 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 28 |
| 13 (CH) | 38.6 |
| 14 (C) | 42.8 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 37 |
| 17 (C) | 34.6 |
| 18 (CH) | 49.1 |
| 19 (CH) | 36.5 |
| 20 (C) | 139.9 |
| 21 (CH) | 119.4 |
| 22 (CH2) | 42.5 |
| 23 (CH3) | 25.2 |
| 24 (CH3) | 23.9 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 15.1 |
| 28 (CH3) | 18 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 21.8 |
