Spektraris NMR
3beta-Hydroxy-11alpha-acetoxytaraxera-14-ene-12-one
Common Name: 3beta-Hydroxy-11alpha-acetoxytaraxera-14-ene-12-one
Synonyms: 3beta-Hydroxy-11alpha-acetoxytaraxera-14-ene-12-one
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(33)36-24-25-30(7)15-12-23(34)28(4,5)20(30)11-14-31(25,8)21-10-13-29(6)17-16-27(2,3)18-22(29)32(21,9)26(24)35/h10,20,22-25,34H,11-18H2,1-9H3/t20-,22+,23-,24-,25+,29-,30-,31-,32+/m0/s1
InChIKey: InChIKey=HLTDFXXGYPWHBC-HUYYHLCJSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
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 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.3 |
| 4 (C) | 38.9 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.2 |
| 8 (C) | 39 |
| 9 (CH) | 54.3 |
| 10 (C) | 38.5 |
| 11 (CH) | 72.8 |
| 12 (C) | 208.4 |
| 13 (C) | 50.7 |
| 14 (C) | 152.9 |
| 15 (CH) | 119.7 |
| 16 (CH2) | 35.1 |
| 17 (C) | 36.7 |
| 18 (CH) | 40.2 |
| 19 (CH2) | 38.1 |
| 20 (C) | 29.4 |
| 21 (CH2) | 33.1 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 24.5 |
| 27 (CH3) | 21.7 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 28.1 |
| 11a (C) | 169.6 |
| 11b (CH3) | 21.3 |
