Spektraris NMR
Strobilol I
Common Name: Strobilol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O6/c1-5-6-7-8-9-10-11-12-20(26)30-22-21-18(13-19-23(22,4)31-19)16(2)14-24(27)25(21,28)17(3)15-29-24/h16,18-19,21-22,27-28H,3,5-15H2,1-2,4H3/t16-,18+,19+,21+,22-,23+,24+,25+/m1/s1
InChIKey: InChIKey=AZCCBOGMNKOZLP-MTMBJODSSA-N
Formula: C25H40O6
Molecular Weight: 436.582457
Exact Mass: 436.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hiramatsu, F., Murayama, T., Koseki, T., Okada, K., Shiono, Y. Helv Chim Acta (2008) 91, 1595-603
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (CH) | 39.4 |
| 2 (CH2) | 29 |
| 3 (CH) | 60.5 |
| 4 (C) | 59.7 |
| 5 (CH) | 74.3 |
| 6 (CH) | 42.2 |
| 7 (C) | 76.9 |
| 8 (C) | 104.4 |
| 9 (CH2) | 39.4 |
| 10 (CH) | 35.5 |
| 11 (C) | 147.2 |
| 12 (CH2) | 109.5 |
| 13 (CH2) | 68 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 19.1 |
| 5a (C) | 172.6 |
| 5b (CH2) | 34.6 |
| 5c (CH2) | 24.7 |
| 5d (CH2) | 22.6 |
| 5e (CH2) | 29 |
| 5f (CH2) | 29 |
| 5g (CH2) | 29.2 |
| 5h (CH2) | 29.4 |
| 5i (CH2) | 31.8 |
| 5j (CH3) | 14.1 |
