Spektraris NMR
28-Acetyloxy-6r,7r:21b,28-diepoxytaraxer-3r-ol
Common Name: 28-Acetyloxy-6r,7r:21b,28-diepoxytaraxer-3r-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-17(33)35-26-32-14-10-18-29(6,20(32)15-27(2,3)22(16-32)36-26)12-9-19-30(7)13-11-21(34)28(4,5)24(30)23-25(37-23)31(18,19)8/h10,19-26,34H,9,11-16H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,26+,29-,30-,31+,32-/m1/s1
InChIKey: InChIKey=ZLMMCVKSRGCZAX-IXHJRKEVSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S.P., Schilling, J.K., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G.I. J Nat Prod (2004) 67, 895-8
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) | 32.6 |
| 2 (CH2) | 25.1 |
| 3 (CH) | 76.2 |
| 4 (C) | 40.5 |
| 5 (CH) | 52.6 |
| 6 (CH) | 66.8 |
| 7 (CH) | 73 |
| 8 (C) | 44.3 |
| 9 (CH) | 46.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 31.5 |
| 13 (C) | 37.8 |
| 14 (C) | 162.3 |
| 15 (CH) | 119.3 |
| 16 (CH2) | 35.2 |
| 17 (C) | 57.2 |
| 18 (CH) | 44.5 |
| 19 (CH2) | 41.5 |
| 20 (C) | 25 |
| 21 (CH) | 79.8 |
| 22 (CH2) | 28.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 15.2 |
| 26 (CH3) | 23.8 |
| 27 (CH3) | 19.6 |
| 28 (CH) | 96.8 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 31.5 |
| 28a (C) | 170.1 |
| 28b (CH3) | 21.6 |
