Spektraris NMR
Jasminol
Common Name: Jasminol
Synonyms: Jasminol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20(2)21-11-16-30(19-31)18-17-28(6)22(25(21)30)9-10-24-27(5)14-8-13-26(3,4)23(27)12-15-29(24,28)7/h21-25,31H,1,8-19H2,2-7H3/t21-,22+,23-,24+,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=NVGWEOCSOMJZPE-DRUCTHHFSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
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) | 40.2 |
| 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) | 37.2 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27 |
| 16 (CH2) | 29.2 |
| 17 (C) | 47.7 |
| 18 (CH) | 48.7 |
| 19 (CH) | 47.7 |
| 20 (C) | 150.2 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 33.9 |
| 23 (CH3) | 33.3 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.8 |
| 28 (CH2) | 60.4 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.1 |
