Spektraris NMR
Bilosespen A
Common Name: Bilosespen A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)16-13-21-20(4)10-8-15-25(21,6)22(24)12-11-19(3)17-23(26)27/h9,17,21-22H,4,7-8,10-16H2,1-3,5-6H3,(H,26,27)/b19-17+/t21-,22-,24+,25+/m1/s1
InChIKey: InChIKey=GVNLWAMQXITKTC-LKOXZUICSA-N
Formula: C25H40O2
Molecular Weight: 372.584837
Exact Mass: 372.302831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Yosief, T., Schleyer, M., Kashman, Y. Org Lett (1999) 1, 471-2
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 39.3 |
| 2 (CH2) | 21.5 |
| 3 (CH2) | 39.1 |
| 4 (C) | 148.1 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 37.9 |
| 8 (C) | 37.6 |
| 9 (CH) | 57.7 |
| 10 (C) | 39.8 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 43.5 |
| 13 (C) | 164 |
| 14 (CH) | 114.7 |
| 15 (C) | 173 |
| 16 (CH3) | 19.3 |
| 17 (CH3) | 29.3 |
| 18 (CH2) | 106.2 |
| 20 (CH3) | 15.4 |
| 8a (CH2) | 32.8 |
| 8b (CH2) | 23 |
| 8c (CH) | 125.5 |
| 8d (C) | 131 |
| 8e (CH3) | 17.5 |
| 8da (CH3) | 25.7 |
