Spektraris NMR
19,20-Diacetoxyspongia-13(16),14-diene
Common Name: 19,20-Diacetoxyspongia-13(16),14-diene
Synonyms: 19,20-Diacetoxyspongia-13(16),14-diene
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-16(25)28-14-22(3)9-5-10-24(15-29-17(2)26)20(22)8-11-23(4)19-13-27-12-18(19)6-7-21(23)24/h12-13,20-21H,5-11,14-15H2,1-4H3/t20-,21-,22+,23-,24+/m0/s1
InChIKey: InChIKey=JBMZWHIPLKEEMI-OSFFKXSWSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Carroll, A.R., Lamb, J., Moni, R., Hooper, J.N.A., Quinn, R.J. J Nat Prod (2008) 71, 884-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 35.6 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 36.2 |
| 4 (C) | 36.4 |
| 5 (CH) | 57 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 42 |
| 8 (C) | 34.7 |
| 9 (CH) | 57.8 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 22.2 |
| 13 (C) | 119.9 |
| 14 (C) | 136.9 |
| 15 (CH) | 135.7 |
| 16 (CH) | 136.9 |
| 17 (CH3) | 25.7 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 66.6 |
| 20 (CH2) | 64.3 |
| 19a (C) | 169.9 |
| 19b (CH3) | 20.5 |
| 20a (C) | 170.1 |
| 20b (CH3) | 20.3 |
