Spektraris NMR
Sinularolides B diacetate
Common Name: Sinularolides B diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-14-8-6-10-15(2)21(29-18(5)26)22-19(16(3)23(27)30-22)12-20-24(31-20,11-7-9-14)13-28-17(4)25/h9-10,19-22H,3,6-8,11-13H2,1-2,4-5H3/b14-9+,15-10+/t19-,20+,21-,22-,24+/m1/s1
InChIKey: InChIKey=VPEKGBXHSVTOSK-AVGSJBJPSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, W., Krohn, K., Ding, J., Miao, Z.H., Zhou, X.H., Chen, S.H., Pescitelli, G., Salvadori, P., Kurtan, T., Guo, Y.W. J Nat Prod (2008) 71, 961-6
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) | 42.1 |
| 2 (CH) | 79.7 |
| 3 (CH) | 80.1 |
| 4 (C) | 129.2 |
| 5 (CH) | 133.5 |
| 6 (CH2) | 24.8 |
| 7 (CH2) | 38.3 |
| 8 (C) | 135.1 |
| 9 (CH) | 124.3 |
| 10 (CH2) | 23.5 |
| 11 (CH2) | 32.4 |
| 12 (C) | 60.4 |
| 13 (CH) | 62 |
| 14 (CH2) | 31.7 |
| 15 (C) | 138.2 |
| 16 (C) | 168.9 |
| 17 (CH2) | 124 |
| 18 (CH3) | 13.3 |
| 19 (CH3) | 15.9 |
| 20 (CH2) | 64.1 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.8 |
| 20a (C) | 170.7 |
| 20b (CH3) | 21 |
