Spektraris NMR
3beta,11alpha-Dihydroxytaraxera-14-ene-12-one
Common Name: 3beta,11alpha-Dihydroxytaraxera-14-ene-12-one
Synonyms: 3beta,11alpha-Dihydroxytaraxera-14-ene-12-one
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)15-16-27(5)12-9-19-29(7)13-10-18-26(3,4)21(31)11-14-28(18,6)23(29)22(32)24(33)30(19,8)20(27)17-25/h9,18,20-23,31-32H,10-17H2,1-8H3/t18-,20+,21-,22-,23+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=RSFOLDGWWJZFSF-WLUUJYKASA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herat, H.M., Athukoralage, P.S., Jamie, J.F. Phytochemistry (2000) 54, 823-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 39.8 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.5 |
| 4 (C) | 39.2 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 42 |
| 8 (C) | 40.2 |
| 9 (CH) | 54.9 |
| 10 (C) | 38.7 |
| 11 (CH) | 74.2 |
| 12 (C) | 215.5 |
| 13 (C) | 49.4 |
| 14 (C) | 151.8 |
| 15 (CH) | 121.9 |
| 16 (CH2) | 35.1 |
| 17 (C) | 35.4 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 37 |
| 20 (C) | 29.4 |
| 21 (CH2) | 33.1 |
| 22 (CH2) | 35.9 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 23.5 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 28.1 |
