Spektraris NMR
3-Oxolupenal
Common Name: 3-Oxolupenal
Synonyms: 3-Oxolupenal
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=UULYNHWOJRYOFT-BHMAJAPKSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mutai, C., Abatis, D., Vagias, C., Moreau, D., Roussakis, C., Roussis, V. Phytochemistry (2004) 65, 1159-64
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.6 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.3 |
| 4 (C) | 47.4 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.5 |
| 8 (C) | 42.7 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 37.8 |
| 14 (C) | 40.7 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 35.3 |
| 17 (C) | 43.3 |
| 18 (CH) | 51.4 |
| 19 (CH) | 37 |
| 20 (C) | 156.8 |
| 21 (CH2) | 32.3 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 17.8 |
| 29 (CH2) | 133.3 |
| 30 (CH) | 195.1 |
