Spektraris NMR
19,20-diacetoxy-7,8-epoxy-3,12,13-dolabellatriene
Common Name: 19,20-diacetoxy-7,8-epoxy-3,12,13-dolabellatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-16-6-7-22-24(5,29-22)13-10-21-20(9-12-23(21,4)11-8-16)19(14-27-17(2)25)15-28-18(3)26/h8-9,12,21-22H,6-7,10-11,13-15H2,1-5H3/b16-8+/t21-,22+,23-,24+/m0/s1
InChIKey: InChIKey=GIWRFROSNZDMIG-LPKBFRKZSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Govindan, M., Govindan, G.N., Kingston, D.G. J Nat Prod (1995) 58, 1174-84
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 54.02 |
| 2 (CH2) | 39.56 |
| 3 (CH) | 123.7 |
| 4 (C) | 135.9 |
| 5 (CH2) | 37.98 |
| 6 (CH2) | 22.91 |
| 7 (CH) | 66.52 |
| 8 (C) | 60.41 |
| 9 (CH2) | 36.64 |
| 10 (CH2) | 29.77 |
| 11 (CH) | 44.25 |
| 12 (C) | 158.4 |
| 13 (CH) | 126.4 |
| 14 (CH) | 150.8 |
| 15 (CH3) | 20.19 |
| 16 (CH3) | 15.49 |
| 17 (CH3) | 17.57 |
| 18 (C) | 118.8 |
| 19 (CH2) | 62.82 |
| 20 (CH2) | 62.77 |
| 19a (C) | 171.1 |
| 19b (CH3) | 20.9 |
| 20a (C) | 171.1 |
| 20b (CH3) | 21.02 |
