Spektraris NMR
6a,14-Dihydroxymanoyloxide-15,17-dien-16,19-olide
Common Name: 6a,14-Dihydroxymanoyloxide-15,17-dien-16,19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-15-12-20(28)29-17(15)13-19(27)24(5)11-8-18-23(4)10-7-9-22(2,3)21(23)16(26)14-25(18,6)30-24/h12-13,16,18-19,21,26-27H,7-11,14H2,1-6H3/b17-13-/t16-,18+,19?,21-,23+,24+,25+/m0/s1
InChIKey: InChIKey=HXIGCIAAEQXXQZ-XQJNOIADSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Ulubelen, A., Tam, T.C.M., TaoChe, C. Phytochemistry (1996) 42, 1089-92
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 39 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 43.5 |
| 4 (C) | 30.7 |
| 5 (CH) | 61.6 |
| 6 (CH) | 69 |
| 7 (CH2) | 54.1 |
| 8 (C) | 73.2 |
| 9 (CH) | 58 |
| 10 (C) | 33.8 |
| 11 (CH2) | 14.9 |
| 12 (CH2) | 37.6 |
| 13 (C) | 75.3 |
| 14 (CH) | 72.9 |
| 15 (CH) | 109.3 |
| 16 (C) | 151 |
| 17 (C) | 154.7 |
| 18 (CH) | 117.3 |
| 19 (C) | 176.7 |
| 20 (CH3) | 11.7 |
| 21 (CH3) | 25.9 |
| 22 (CH3) | 24.6 |
| 23 (CH3) | 36.4 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 17.2 |
