Spektraris NMR
Cleospinol A
Common Name: Cleospinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O4/c1-16(2)22-12-11-17(3)9-8-10-18(4)13-23(14-19(5)24(27)15-22)29-25(28)20(6)21(7)26/h10-11,14,20-24,26-27H,1,8-9,12-13,15H2,2-7H3/b17-11+,18-10+,19-14+/t20?,21?,22-,23+,24-/m0/s1
InChIKey: InChIKey=YUMLJLDCYHFOIA-CIFHWSQSSA-N
Formula: C25H40O4
Molecular Weight: 404.583647
Exact Mass: 404.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collins, D.O., Reynolds, W.F., Reese, P.B. J Nat Prod (2004) 67, 179-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 45 |
| 2 (CH2) | 33.6 |
| 3 (CH) | 122.7 |
| 4 (C) | 135.4 |
| 5 (CH2) | 38.2 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 129.1 |
| 8 (C) | 129.5 |
| 9 (CH2) | 45.1 |
| 10 (CH) | 68.8 |
| 11 (CH) | 122.8 |
| 12 (C) | 146.5 |
| 13 (CH) | 73.3 |
| 14 (CH2) | 39.6 |
| 15 (C) | 148.3 |
| 16 (CH2) | 110.7 |
| 17 (CH3) | 19.1 |
| 18 (CH3) | 16.29 |
| 19 (CH3) | 16.25 |
| 20 (CH3) | 18.2 |
| 10a (C) | 175.1 |
| 10b (CH) | 47 |
| 10c (CH) | 69.6 |
| 10d (CH3) | 20.8 |
| 10ba (CH3) | 14.2 |
