Spektraris NMR
Musangic acid trimethyl ester
Common Name: Musangic acid trimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O8/c1-19-13-16-33(27(37)41-10)23(34)17-31(6)20(25(33)32(19,7)38)11-12-22-29(4,18-24(35)39-8)21(14-15-30(22,31)5)28(2,3)26(36)40-9/h11,19,21-23,25,34,38H,12-18H2,1-10H3/t19-,21+,22-,23-,25-,29+,30-,31-,32-,33+/m1/s1
InChIKey: InChIKey=ZKPGVOUEFYCSHT-QAWWOVHSSA-N
Formula: C33H52O8
Molecular Weight: 576.762443
Exact Mass: 576.366219
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) | 41.5 |
| 2 (C) | 171.9 |
| 3 (C) | 179.8 |
| 4 (C) | 46.1 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 31.8 |
| 8 (C) | 41.7 |
| 9 (CH) | 38.8 |
| 10 (C) | 39.9 |
| 11 (CH2) | 18.5 |
| 12 (CH) | 129.3 |
| 13 (C) | 137.5 |
| 14 (C) | 42.4 |
| 15 (CH2) | 31.8 |
| 16 (CH) | 73.4 |
| 17 (C) | 53.8 |
| 18 (CH) | 53.3 |
| 19 (C) | 72 |
| 20 (CH) | 38.8 |
| 21 (CH2) | 23.9 |
| 22 (CH2) | 33.4 |
| 23 (CH3) | 24 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 27.2 |
| 28 (C) | 177.2 |
| 29 (CH3) | 27.7 |
| 30 (CH3) | 23.7 |
| 2a (CH3) | 52 |
| 3a (CH3) | 51.7 |
| 28a (CH3) | 50.8 |
