Spektraris NMR
Jasminol acetate
Common Name: Jasminol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)23-12-17-32(20-34-22(3)33)19-18-30(7)24(27(23)32)10-11-26-29(6)15-9-14-28(4,5)25(29)13-16-31(26,30)8/h23-27H,1,9-20H2,2-8H3/t23-,24+,25-,26+,27+,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=WYMXCCLBXFJBOO-LRYWNKKMSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert E., Baddeley G.V., Burfitt I.R., Moreno L.N Org Magn Reson (1978) 11, 337
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 40.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 37.5 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27 |
| 16 (CH2) | 29.6 |
| 17 (C) | 46.3 |
| 18 (CH) | 48.8 |
| 19 (CH) | 47.6 |
| 20 (C) | 149.8 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 34.3 |
| 23 (CH3) | 33.3 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.8 |
| 28 (CH2) | 62.7 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.1 |
| 28a (C) | 170.4 |
| 28b (CH3) | 21 |
