Spektraris NMR
6a,16-Dihydroxymanoyloxide-14,17-dien-16,19-olide
Common Name: 6a,16-Dihydroxymanoyloxide-14,17-dien-16,19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-16-14-19(27)29-25(16,28)13-12-22(4)11-8-18-23(5)10-7-9-21(2,3)20(23)17(26)15-24(18,6)30-22/h12-14,17-18,20,26,28H,7-11,15H2,1-6H3/b13-12+/t17-,18+,20-,22+,23+,24+,25?/m0/s1
InChIKey: InChIKey=JDGXUUFIFAKRTF-RXZNFPDPSA-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) | 39.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 43.3 |
| 4 (C) | 33.2 |
| 5 (CH) | 59.6 |
| 6 (CH) | 70.6 |
| 7 (CH2) | 53.3 |
| 8 (C) | 73.6 |
| 9 (CH) | 60.4 |
| 10 (C) | 34 |
| 11 (CH2) | 14.2 |
| 12 (CH2) | 37.6 |
| 13 (C) | 75.2 |
| 14 (CH) | 147.2 |
| 15 (CH) | 119.7 |
| 16 (C) | 107 |
| 17 (C) | 164 |
| 18 (CH) | 118.2 |
| 19 (C) | 171.3 |
| 20 (CH3) | 12.8 |
| 21 (CH3) | 30.9 |
| 22 (CH3) | 24 |
| 23 (CH3) | 35.9 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 14.9 |
