Spektraris NMR
Tsugaric acid A
Common Name: Tsugaric acid A
Synonyms: Tsugaric acid A
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27-,30-,31-,32+/m1/s1
InChIKey: InChIKey=FIWGZIBLJWZUEA-CAHOJKFZSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Keller, A.C., Maillard, M.P., Hostettmann, K. Phytochemistry (1996) 41, 1041-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.3 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 77.9 |
| 4 (C) | 36.8 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 26.9 |
| 8 (C) | 134.4 |
| 9 (C) | 133.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 28.9 |
| 13 (C) | 44.2 |
| 14 (C) | 49.5 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 27 |
| 17 (CH) | 47.1 |
| 18 (CH3) | 16 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 47.7 |
| 21 (C) | 183.3 |
| 22 (CH2) | 32.4 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 123.6 |
| 25 (C) | 132.2 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 24.3 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
