Spektraris NMR
Larreagenin A
Common Name: Larreagenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O3/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3)13-15-29(19,23(31)32-25)16-14-27(18,28)5/h20-22,30H,7-17H2,1-6H3/t20-,21+,22-,25-,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=SVXQNFUGNPYYCZ-JJDDSCJWSA-N
Formula: C29H44O3
Molecular Weight: 440.658949
Exact Mass: 440.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang H.B., Yu D.Q., Liang X.T., Watanabe N., Tamal M., Omura S. Planta Med (1989) 55, 303
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.8 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.9 |
| 8 (C) | 41 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 25.1 |
| 13 (C) | 123.5 |
| 14 (C) | 42.1 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 20.7 |
| 17 (C) | 43 |
| 18 (C) | 139.7 |
| 19 (CH2) | 34.8 |
| 20 (C) | 81 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.9 |
| 28 (C) | 175.9 |
| 29 (CH3) | 25.3 |
