Spektraris NMR
3a-acetoxylup-20(29)-en-23,28-dioic acid
Common Name: 3a-acetoxylup-20(29)-en-23,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-18(2)20-10-15-32(27(36)37)17-16-29(5)21(25(20)32)8-9-22-28(4)13-12-24(38-19(3)33)31(7,26(34)35)23(28)11-14-30(22,29)6/h20-25H,1,8-17H2,2-7H3,(H,34,35)(H,36,37)/t20-,21+,22+,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=JVQNCWJJEYAODC-ZESURFQCSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: P+C
MHz:
Calibration:
NMR references: 13C - Preiss A., Adam M.L.G., Budesinsky M. Magn Reson Chem (1986) 24, 915
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) | 33.1 |
| 2 (CH2) | 22.6 |
| 3 (CH) | 75.8 |
| 4 (C) | 49.9 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.7 |
| 10 (C) | 37 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 38.3 |
| 14 (C) | 42.8 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 32.7 |
| 17 (C) | 56.4 |
| 18 (CH) | 49.5 |
| 19 (CH) | 47.2 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.3 |
| 23 (C) | 177.7 |
| 24 (CH3) | 17.2 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.9 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.5 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.2 |
