Spektraris NMR
Cecropiacic acid trimethyl ester
Common Name: Cecropiacic acid trimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O7/c1-20-13-16-33(27(36)40-10)18-17-30(5)21(25(33)32(20,7)37)11-12-23-29(4,19-24(34)38-8)22(14-15-31(23,30)6)28(2,3)26(35)39-9/h11,20,22-23,25,37H,12-19H2,1-10H3/t20-,22+,23-,25-,29+,30-,31-,32-,33+/m1/s1
InChIKey: InChIKey=YJIVUMOFAMUXNI-GGBPHHRUSA-N
Formula: C33H52O7
Molecular Weight: 560.763038
Exact Mass: 560.371304
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lontsi D., Sondengam B.L., Ayafor J.F. J Nat Prod (1989) 52, 52-6
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) | 41.4 |
| 2 (C) | 171.9 |
| 3 (C) | 179.8 |
| 4 (C) | 46.1 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 31.9 |
| 8 (C) | 41.7 |
| 9 (CH) | 38.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 129 |
| 13 (C) | 138 |
| 14 (C) | 41.6 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 25.5 |
| 17 (C) | 47.8 |
| 18 (CH) | 53.2 |
| 19 (C) | 73 |
| 20 (CH) | 41.1 |
| 21 (CH2) | 25.9 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 24 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 27.4 |
| 28 (C) | 178.3 |
| 29 (CH3) | 27.7 |
| 30 (CH3) | 23.7 |
| 2a (CH3) | 51.5 |
| 3a (CH3) | 50.8 |
| 28a (CH3) | 51.7 |
