Spektraris NMR
Crassolide
Common Name: Crassolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-13-8-10-19(31-16(4)27)14(2)9-11-21(33-18(6)29)26(7)24(35-26)23-22(15(3)25(30)34-23)20(12-13)32-17(5)28/h8-9,19-24H,3,10-12H2,1-2,4-7H3/b13-8+,14-9+/t19-,20+,21+,22+,23-,24+,26-/m0/s1
InChIKey: InChIKey=OBGWQFODBKAPHA-CXPPFQTPSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.T., Wang, S.K., Soong, K., Duh, C.Y. Chem Pharm Bull (2007) 55, 766-70
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) | 73.2 |
| 3 (CH) | 61.9 |
| 4 (C) | 61.3 |
| 5 (CH) | 77.6 |
| 6 (CH2) | 29.4 |
| 7 (CH) | 122 |
| 8 (C) | 137.1 |
| 9 (CH) | 78.6 |
| 10 (CH2) | 30.3 |
| 11 (CH) | 123.9 |
| 12 (C) | 133.8 |
| 13 (CH2) | 42.2 |
| 14 (CH) | 73.3 |
| 15 (C) | 135 |
| 16 (CH2) | 124.7 |
| 17 (C) | 168.9 |
| 18 (CH3) | 13 |
| 19 (CH3) | 11.3 |
| 20 (CH3) | 15.8 |
| 5a (C) | 170.2 |
| 5b (CH3) | 21.2 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.4 |
| 14a (C) | 170.1 |
| 14b (CH3) | 20.9 |
