Spektraris NMR
Sigmosceptrellin-B
Common Name: Sigmosceptrellin-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O6/c1-17(11-12-21(26)23(4,5)14-8-10-18(2)25)9-7-15-24(6)16-13-20(29-30-24)19(3)22(27)28/h9,19-20H,7-8,10-16H2,1-6H3,(H,27,28)/b17-9+/t19-,20+,24-/m0/s1
InChIKey: InChIKey=UCWHHFGTUDDROG-VOXNSMEVSA-N
Formula: C24H40O6
Molecular Weight: 424.571721
Exact Mass: 424.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Hamann, M.T., Hashish, N.E., Shier, W.T., Kelly, M., Khan, A.A. J Nat Prod (2001) 64, 522-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (C) | 179.1 |
| 2 (CH) | 43 |
| 3 (CH) | 81.2 |
| 4 (CH2) | 23.4 |
| 5 (CH2) | 32 |
| 6 (C) | 80.1 |
| 7 (CH2) | 39.8 |
| 8 (CH2) | 21.7 |
| 9 (CH) | 124.3 |
| 10 (C) | 134.5 |
| 11 (CH2) | 33.5 |
| 12 (CH2) | 35.6 |
| 13 (C) | 215.1 |
| 14 (C) | 47.5 |
| 15 (CH2) | 39.1 |
| 16 (CH2) | 19 |
| 17 (CH2) | 43.9 |
| 18 (C) | 208.7 |
| 19 (CH3) | 29.9 |
| 20 (CH3) | 13.3 |
| 21 (CH3) | 20.6 |
| 22 (CH3) | 16.1 |
| 23 (CH3) | 24.3 |
| 24 (CH3) | 24.3 |
