Spektraris NMR
Aglasilvinic acid
Common Name: Aglasilvinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O6/c1-27(2,26(33)34)22-14-17-31(7)23(29(22,5)19-25(36-9)37-10)12-11-20-21(13-16-30(20,31)6)32(8)18-15-24(38-32)28(3,4)35/h20-25,35H,11-19H2,1-10H3,(H,33,34)/t20-,21+,22+,23-,24+,29+,30-,31-,32-/m1/s1
InChIKey: InChIKey=TYMOPGCFRVBLGL-JFEOHRSVSA-N
Formula: C32H56O6
Molecular Weight: 536.78466
Exact Mass: 536.40769
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pointinger, S., Promdang, S., Vajrodaya, S., Pannell, C.M., Hofer, O., Mereiter, K., Greger, H. Phytochemistry (2008) 69, 2696-703
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 41 |
| 2 (CH) | 101.4 |
| 3 (C) | 183.1 |
| 4 (C) | 46.3 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 35 |
| 8 (C) | 40.1 |
| 9 (CH) | 43.3 |
| 10 (C) | 41.9 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 42.8 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 49.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 20.6 |
| 20 (C) | 86.5 |
| 21 (CH3) | 21.9 |
| 22 (CH2) | 37.5 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 84.4 |
| 25 (C) | 71.1 |
| 26 (CH3) | 27.8 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 15.6 |
| 2a (CH3) | 54.2 |
| 2b (CH3) | 49.9 |
