Spektraris NMR
1b,6b-diangeloyloxy-8a,10a-dihydroxyeremophil-7(11)-en-8b,12-olide
Common Name: 1b,6b-diangeloyloxy-8a,10a-dihydroxyeremophil-7(11)-en-8b,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-8-13(3)20(26)31-17-11-10-15(5)23(7)19(32-21(27)14(4)9-2)18-16(6)22(28)33-25(18,30)12-24(17,23)29/h8-9,15,17,19,29-30H,10-12H2,1-7H3/b13-8-,14-9-/t15-,17+,19+,23-,24-,25+/m0/s1
InChIKey: InChIKey=DDVXLFUKNYUPDH-ZJRCYZGDSA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, J.X., Wei, X.N., Shi, Y.P. Planta Med (2006) 72, 175-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 74.6 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 26.9 |
| 4 (CH) | 31.4 |
| 5 (C) | 50 |
| 6 (CH) | 70.4 |
| 7 (C) | 155 |
| 8 (C) | 100.6 |
| 9 (CH2) | 42.6 |
| 10 (C) | 75 |
| 11 (C) | 124.5 |
| 12 (C) | 171.3 |
| 13 (CH3) | 8 |
| 14 (CH3) | 14.1 |
| 15 (CH3) | 16.6 |
| 1a (C) | 168.2 |
| 1b (C) | 126.7 |
| 1c (CH) | 141.8 |
| 1d (CH3) | 15.8 |
| 1ba (CH3) | 20.6 |
| 6a (C) | 166 |
| 6b (C) | 126.3 |
| 6c (CH) | 140.9 |
| 6d (CH3) | 16 |
| 6ba (CH3) | 20.6 |
