Spektraris NMR
CHEMBL229202
Common Name: CHEMBL229202
Synonyms: CHEMBL229202
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-15(25)28-14-24(5)20-8-10-22(3)18-13-27-12-17(18)6-7-19(22)23(20,4)11-9-21(24)29-16(2)26/h12-13,19-21H,6-11,14H2,1-5H3/t19-,20+,21-,22-,23+,24+/m0/s1
InChIKey: InChIKey=WTBDNHCIGRRPJK-JGQJCFNXSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ponomarenko, L.P., Kalinovsky, A.I., Afiyatullov, S., Pushilin, M.A., Gerasimenko, A.V., Krasokhin, V.B., Stonik, V.A. J Nat Prod (2007) 70, 1110-3
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) | 38.3 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.1 |
| 4 (C) | 41.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 41.4 |
| 8 (C) | 34.2 |
| 9 (CH) | 56.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 20.7 |
| 13 (C) | 119.6 |
| 14 (C) | 137 |
| 15 (CH) | 135.1 |
| 16 (CH) | 136.9 |
| 17 (CH3) | 26 |
| 18 (CH3) | 22.5 |
| 19 (CH2) | 65.4 |
| 20 (CH3) | 16.1 |
| 3a (C) | 171 |
| 3b (CH3) | 21.1 |
| 19a (C) | 170.5 |
| 19b (CH3) | 21.2 |
