Spektraris NMR
Methyl-3a-hydroxy-24-acetoxyolean-12-en-28-oate
Common Name: Methyl-3a-hydroxy-24-acetoxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-21(34)38-20-30(5)24-11-14-32(7)25(29(24,4)13-12-26(30)35)10-9-22-23-19-28(2,3)15-17-33(23,27(36)37-8)18-16-31(22,32)6/h9,23-26,35H,10-20H2,1-8H3/t23-,24+,25+,26+,29-,30+,31+,32+,33-/m0/s1
InChIKey: InChIKey=WIKWTRFBEQPVKN-VYDXVWPMSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miranda R.P., Delgado G., Vivar A.R. J Nat Prod (1986) 49, 225
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 33.1 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 70.8 |
| 4 (C) | 41.3 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33 |
| 8 (C) | 39.6 |
| 9 (CH) | 47.7 |
| 10 (C) | 37 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.8 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 23.2 |
| 17 (C) | 46.8 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 46.1 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 22.3 |
| 24 (CH2) | 67.8 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 26.1 |
| 28 (C) | 178.2 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.7 |
| 24a (C) | 171 |
| 24b (CH3) | 20.8 |
| 28a (CH3) | 51.5 |
