Spektraris NMR
3b,11a-Diacetoxytaraxer-14-en-12-one
Common Name: 3b,11a-Diacetoxytaraxer-14-en-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O5/c1-20(35)38-25-13-16-32(8)22(30(25,5)6)12-15-33(9)23-11-14-31(7)18-17-29(3,4)19-24(31)34(23,10)28(37)26(27(32)33)39-21(2)36/h11,22,24-27H,12-19H2,1-10H3/t22-,24+,25-,26-,27+,31-,32-,33-,34+/m0/s1
InChIKey: InChIKey=PXQRPFXTGJZKHO-XVCZJDCXSA-N
Formula: C34H52O5
Molecular Weight: 540.774964
Exact Mass: 540.381475
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) | 38.5 |
| 2 (CH2) | 24.6 |
| 3 (CH) | 80.2 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.2 |
| 8 (C) | 38.9 |
| 9 (CH) | 54.4 |
| 10 (C) | 37.8 |
| 11 (CH) | 72.6 |
| 12 (C) | 208 |
| 13 (C) | 50.7 |
| 14 (C) | 152.9 |
| 15 (CH) | 119.6 |
| 16 (CH2) | 35.2 |
| 17 (C) | 35.3 |
| 18 (CH) | 40.1 |
| 19 (CH2) | 37.5 |
| 20 (C) | 29.5 |
| 21 (CH2) | 33.2 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 23.5 |
| 27 (CH3) | 21.6 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 33 |
| 30 (CH3) | 28.2 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.4 |
| 11a (C) | 169.5 |
| 11b (CH3) | 21.2 |
