Spektraris NMR
(1S*,2Z,6E,10R*,11S*,12S*,13S*,14R*)-12,13-Diacetoxycladiella-2,6-dien-11-ol
Common Name: (1S*,2Z,6E,10R*,11S*,12S*,13S*,14R*)-12,13-Diacetoxycladiella-2,6-dien-11-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-14(2)21-19-13-16(4)10-8-9-15(3)11-12-20(19)24(7,27)23(29-18(6)26)22(21)28-17(5)25/h9,13-14,19-23,27H,8,10-12H2,1-7H3/b15-9+,16-13+/t19-,20+,21+,22-,23+,24-/m0/s1
InChIKey: InChIKey=OVEVGFJFJBVGGZ-FUTDNIJASA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, M.J., Zubia, E., Salva, J. J Nat Prod (1997) 60, 485-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 34.9 |
| 2 (CH) | 131.1 |
| 3 (C) | 135.5 |
| 4 (CH2) | 34.1 |
| 5 (CH2) | 25 |
| 6 (CH) | 126 |
| 7 (C) | 137.1 |
| 8 (CH2) | 39.7 |
| 9 (CH2) | 24.9 |
| 10 (CH) | 45.4 |
| 11 (C) | 75.7 |
| 12 (CH) | 77.4 |
| 13 (CH) | 72.5 |
| 14 (CH) | 47.5 |
| 15 (CH3) | 24.9 |
| 16 (CH3) | 17.9 |
| 17 (CH3) | 23.9 |
| 18 (CH) | 27.4 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 22.3 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.4 |
| 13a (C) | 170.4 |
| 13b (CH3) | 20.8 |
