Spektraris NMR
Caseargrewiin D
Common Name: Caseargrewiin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-7-14(2)8-10-23(6)15(3)9-11-24-19(12-18(27)13-20(23)24)21(28-16(4)25)30-22(24)29-17(5)26/h7-8,12,15,18,20-22,27H,1,9-11,13H2,2-6H3/b14-8-/t15-,18+,20+,21+,22-,23-,24-/m1/s1
InChIKey: InChIKey=CLMGAZWYZXAAJO-FURQXPDPSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Kanarsa, T., Buayairaksa, M. J Nat Prod (2005) 68, 183-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 28.9 |
| 2 (CH) | 64.2 |
| 3 (CH) | 123.8 |
| 4 (C) | 145.2 |
| 5 (C) | 49.2 |
| 6 (CH2) | 28.9 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 33.7 |
| 9 (C) | 33.7 |
| 10 (CH) | 36.5 |
| 11 (CH2) | 29.5 |
| 12 (CH) | 126.9 |
| 13 (C) | 133.4 |
| 14 (CH) | 133.6 |
| 15 (CH2) | 114 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 94.7 |
| 19 (CH) | 99.2 |
| 20 (CH3) | 25.6 |
| 18a (C) | 170.4 |
| 18b (CH3) | 21.3 |
| 19a (C) | 169.6 |
| 19b (CH3) | 21.3 |
