Spektraris NMR
(2R)-Dihydroxy-3,10-epoxy-8-isobutyloxygermacra-11-(13)-en-6,12-olide
Common Name: (2R)-Dihydroxy-3,10-epoxy-8-isobutyloxygermacra-11-(13)-en-6,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)8-14(20)19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18+,19-/m0/s1
InChIKey: InChIKey=UFLGQPOBCWRADC-YCIRREICSA-N
Formula: C19H28O7
Molecular Weight: 368.422158
Exact Mass: 368.183503
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gu, J.Q., Gills, J.J., Park, E.J., Mata-Greenwood, E., Hawthorne, M.E., Axelrod, F., Chavez, P.I., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2002) 65, 532-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 49.3 |
| 2 (CH) | 74.6 |
| 3 (C) | 109.1 |
| 4 (CH) | 41.2 |
| 5 (CH2) | 39.9 |
| 6 (CH) | 82.6 |
| 7 (CH) | 49.4 |
| 8 (CH) | 71.3 |
| 9 (CH2) | 44.4 |
| 10 (C) | 77.7 |
| 11 (C) | 138.8 |
| 12 (C) | 171.6 |
| 13 (CH2) | 122.5 |
| 14 (CH3) | 28.2 |
| 15 (CH3) | 19.6 |
| 8a (C) | 177.5 |
| 8b (CH) | 35.3 |
| 8c (CH3) | 19.3 |
| 82a (CH3) | 19.1 |
