Spektraris NMR
Pachysandiol A
Common Name: Pachysandiol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=OFLPXEYYLDOAPP-WXQDRBBESA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moiteiro, C., Justino, F., Tavares, R., Marcelo-Curto, M.J., Florencio, M.H., Nascimento, M.S., Pedro, M., Cerqueira, F., Pinto, M.M. J Nat Prod (2001) 64, 1273-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 23.8 |
| 2 (CH) | 71.3 |
| 3 (CH) | 76.4 |
| 4 (CH) | 43.6 |
| 5 (C) | 37.7 |
| 6 (CH2) | 41.3 |
| 7 (CH2) | 18.1 |
| 8 (CH) | 53.2 |
| 9 (C) | 36.5 |
| 10 (CH) | 52.2 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.6 |
| 13 (C) | 39.6 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 36 |
| 17 (C) | 29.9 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 35.2 |
| 20 (C) | 28.1 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 10.8 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 32 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 35 |
