Spektraris NMR
20-Acetylsinularolide B
Common Name: 20-Acetylsinularolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13-7-5-9-14(2)19(24)20-17(15(3)21(25)27-20)11-18-22(28-18,10-6-8-13)12-26-16(4)23/h8-9,17-20,24H,3,5-7,10-12H2,1-2,4H3/b13-8+,14-9+/t17-,18+,19-,20-,22+/m1/s1
InChIKey: InChIKey=KORREFUCEHZSEK-MQEBIELLSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: C
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) | 42.2 |
| 2 (CH) | 82.1 |
| 3 (CH) | 81 |
| 4 (C) | 131.9 |
| 5 (CH) | 132.1 |
| 6 (CH2) | 24.8 |
| 7 (CH2) | 38.5 |
| 8 (C) | 135.1 |
| 9 (CH) | 124.2 |
| 10 (CH2) | 23.6 |
| 11 (CH2) | 32.6 |
| 12 (C) | 60.4 |
| 13 (CH) | 62.4 |
| 14 (CH2) | 31.5 |
| 15 (C) | 138.5 |
| 16 (C) | 168.8 |
| 17 (CH2) | 124.2 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 15.8 |
| 20 (CH2) | 64 |
| 20a (C) | 170.7 |
| 20b (CH3) | 20.7 |
