Spektraris NMR
Diacetyleleganolactone B
Common Name: Diacetyleleganolactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-9-6-7-14(24-12(4)20)10(2)8-15-16(11(3)19(23)26-15)18(17(9)22)25-13(5)21/h8,14-16,18H,1,3,6-7H2,2,4-5H3/b10-8-/t14-,15+,16-,18+/m1/s1
InChIKey: InChIKey=GDJYGYVFZKXFMT-QJJUSVCLSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Rico, M., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2003) 66, 943-8
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 (CH) | 68.4 |
| 2 (CH2) | 29.2 |
| 3 (CH2) | 23.6 |
| 4 (C) | 146 |
| 5 (C) | 199.2 |
| 6 (CH) | 72.1 |
| 7 (CH) | 47.5 |
| 8 (CH) | 74.7 |
| 9 (CH) | 125.9 |
| 10 (C) | 140.3 |
| 11 (C) | 136 |
| 12 (C) | 170 |
| 13 (CH2) | 125 |
| 14 (CH3) | 17.3 |
| 15 (CH2) | 128.7 |
| 1a (C) | 170 |
| 1b (CH3) | 20.3 |
| 6a (C) | 170 |
| 6b (CH3) | 21 |
