Spektraris NMR
Methyl 3a,25-Diacetoxyolean-12-en-28-oate
Common Name: Methyl 3a,25-Diacetoxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-21(34)38-20-33-14-12-26(35)29(4,5)24(33)11-13-31(7)25(33)10-9-22-23-19-28(2,3)15-17-32(23,27(36)37-8)18-16-30(22,31)6/h9,23-26,35H,10-20H2,1-8H3/t23-,24-,25-,26+,30+,31+,32-,33+/m0/s1
InChIKey: InChIKey=IANJDXAKJYEGCN-ONONMKDKSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakai, K., Fukuda, Y., Matsunaga, S., Tanaka, R., Yamori, T. J Nat Prod (2004) 67, 1088-93
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) | 28.4 |
| 2 (CH2) | 24 |
| 3 (CH) | 78.1 |
| 4 (C) | 36.3 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 32.5 |
| 8 (C) | 39.5 |
| 9 (CH) | 48 |
| 10 (C) | 41.2 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 122.6 |
| 13 (C) | 143.7 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 23 |
| 17 (C) | 46.7 |
| 18 (CH) | 41.2 |
| 19 (CH2) | 45.9 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 21.7 |
| 25 (CH2) | 61.3 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 26.4 |
| 28 (C) | 178.3 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 25a (C) | 170.7 |
| 25b (CH3) | 21.3 |
| 28a (CH3) | 51.5 |
