Spektraris NMR
Bombaside
Common Name: Bombaside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O13/c1-10-4-11-13(5-14(28)12-6-35-21(16(11)12)17(10)29)25(2,3)39-23-20(32)19(31)18(30)15(38-23)7-36-24-22(33)26(34,8-27)9-37-24/h6,10-11,13-15,18-20,22-24,27-28,30-34H,4-5,7-9H2,1-3H3/t10-,11+,13-,14+,15+,18+,19-,20+,22-,23-,24+,26+/m0/s1
InChIKey: InChIKey=ZUANWKXIWLOPFL-IRFZKGKOSA-N
Formula: C26H38O13
Molecular Weight: 558.573146
Exact Mass: 558.231241
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, X.H., Zhang, S.W., Xuan, L.J. Heterocycles (2008) 75, 661-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 149.6 |
| 2 (C) | 145.8 |
| 3 (C) | 196 |
| 4 (CH) | 45 |
| 5 (CH2) | 41.6 |
| 6 (CH) | 33.7 |
| 7 (CH) | 46.1 |
| 8 (CH2) | 37.7 |
| 9 (CH) | 62.8 |
| 10 (C) | 127.8 |
| 11 (C) | 84.4 |
| 12 (CH3) | 28.1 |
| 13 (CH3) | 25 |
| 14 (CH3) | 17.7 |
| 15 (CH) | 150.5 |
| 1' (CH) | 99.1 |
| 2' (CH) | 76.1 |
| 3' (CH) | 79 |
| 4' (CH) | 72.4 |
| 5' (CH) | 76.9 |
| 6' (CH2) | 70.5 |
| 1'' (CH) | 111.6 |
| 2'' (CH) | 79.3 |
| 3'' (C) | 82 |
| 4'' (CH2) | 76 |
| 5'' (CH2) | 66.4 |
