Spektraris NMR
3-Oxours-11,13(18)-dien-28-oic acid methyl ester
Common Name: 3-Oxours-11,13(18)-dien-28-oic acid methyl ester
Synonyms: 3-Oxours-11,13(18)-dien-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H46O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9-10,19-20,22-23H,11-18H2,1-8H3/t19-,20+,22+,23-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=UGSBLRQIEQTOON-PXKLCTADSA-N
Formula: C31H46O3
Molecular Weight: 466.696302
Exact Mass: 466.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tapondjou, L.A., Ngounou, F.N., Lontsi, D., Sondengam, B.L., Connolly, J.D. Tetrahedron (1998) 54, 2099-106
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) | 39.93 |
| 2 (CH2) | 34.12 |
| 3 (C) | 217.42 |
| 4 (C) | 47.23 |
| 5 (CH) | 55.45 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 32.15 |
| 8 (C) | 40.51 |
| 9 (CH) | 24.93 |
| 10 (C) | 38.64 |
| 11 (CH) | 126.06 |
| 12 (CH) | 125.7 |
| 13 (C) | 132.19 |
| 14 (C) | 41.99 |
| 15 (CH2) | 26.28 |
| 16 (CH2) | 24.93 |
| 17 (C) | 47.43 |
| 18 (C) | 136.22 |
| 19 (CH) | 36.22 |
| 20 (CH) | 40.8 |
| 21 (CH2) | 25.71 |
| 22 (CH2) | 38.64 |
| 23 (CH3) | 26.28 |
| 24 (CH3) | 20.71 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 19.67 |
| 27 (CH3) | 24.04 |
| 28 (C) | 178.5 |
| 29 (CH3) | 26.28 |
| 30 (CH3) | 15.94 |
| 28a (CH3) | 51.74 |
