Spektraris NMR
Deacetylumbraculolide A
Common Name: Deacetylumbraculolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-12-7-9-17(30-15(4)25)23(6)18(31-16(5)26)10-8-13(2)20(23)21(27)24(29)14(3)22(28)32-19(24)11-12/h11,14,17-21,27,29H,2,7-10H2,1,3-6H3/b12-11-/t14-,17-,18-,19-,20+,21-,23-,24-/m0/s1
InChIKey: InChIKey=NPVBTSAYEICJKJ-YRCNAMJQSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Fan, T. Heterocycles (2003) 60, 1199-202
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 47.3 |
| 2 (CH) | 75.2 |
| 3 (CH2) | 29.7 |
| 4 (CH2) | 31.6 |
| 5 (C) | 145.9 |
| 6 (CH) | 120.4 |
| 7 (CH) | 78.2 |
| 8 (C) | 83.5 |
| 9 (CH) | 71.6 |
| 10 (CH) | 42.7 |
| 11 (C) | 151.2 |
| 12 (CH2) | 30.9 |
| 13 (CH2) | 27.2 |
| 14 (CH) | 75.8 |
| 15 (CH3) | 14.1 |
| 16 (CH3) | 25.3 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 6.6 |
| 19 (C) | 177.3 |
| 20 (CH2) | 111.1 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.4 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21 |
