Spektraris NMR
Capisterone A
Common Name: Capisterone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O8S/c1-20(2)15-23(34)16-21(3)24-9-11-29(6)25-7-8-26-30(18-39-22(4)33,19-40-41(36,37)38)27(35)10-12-31(26)17-32(25,31)14-13-28(24,29)5/h20-21,24-26H,7-19H2,1-6H3,(H,36,37,38)/p-1/t21-,24-,25-,26+,28-,29+,30+,31-,32+/m1/s1
InChIKey: InChIKey=RGBNWLMKBHYXRX-WJMBBQAPSA-M
Formula: C32H50O8S1
Molecular Weight: 594.801911
Exact Mass: 594.322639
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Puglisi, M.P., Tan, L.T., Jensen, P.R., Fenical, W. Tetrahedron (2004) 60, 7035-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.7 |
| 2 (CH2) | 37.9 |
| 3 (C) | 208.2 |
| 4 (C) | 56 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 47.1 |
| 9 (C) | 21.3 |
| 10 (C) | 24.6 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 32.2 |
| 13 (C) | 44.7 |
| 14 (C) | 48.2 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 29.1 |
| 20 (CH) | 32 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 49.7 |
| 23 (C) | 209.7 |
| 24 (CH2) | 51.4 |
| 25 (CH) | 23.8 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 22.3 |
| 28 (CH2) | 63.3 |
| 29 (CH2) | 63.8 |
| 30 (CH3) | 19 |
| 29a (C) | 169.6 |
| 29b (CH3) | 20.4 |
