Spektraris NMR
3b-Acetoxy-l8aH,19a,28,20ab-ursanolide
Common Name: 3b-Acetoxy-l8aH,19a,28,20ab-ursanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19-25-21-9-10-23-28(5)13-12-24(35-20(2)33)27(3,4)22(28)11-14-30(23,7)29(21,6)15-17-32(25)18-16-31(19,8)36-26(32)34/h19,21-25H,9-18H2,1-8H3/t19-,21+,22-,23+,24-,25+,28-,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=WUCZTRLNOPRWMD-KCDKZONBSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Druet D., Comeau L.C., Viani R., Baldy A., Estienne J., Pierrot M. Can J Chem (1987) 65, 851
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 23.6 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.5 |
| 9 (CH) | 50.5 |
| 10 (C) | 37 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 42 |
| 14 (C) | 42 |
| 15 (CH2) | 27 |
| 16 (CH2) | 32.2 |
| 17 (C) | 34.5 |
| 18 (CH) | 48.3 |
| 19 (CH) | 42.8 |
| 20 (C) | 84.1 |
| 21 (CH2) | 27.2 |
| 22 (CH2) | 27.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 15.6 |
| 27 (CH3) | 14.2 |
| 28 (C) | 185.7 |
| 29 (CH3) | 23.9 |
| 30 (CH3) | 18.7 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
