Spektraris NMR
(E,E)-2a,9b-Dihydroxy-6bH,11aH-13-norgermacra-1(10),4-dien-11,6-carbolactone
Common Name: (E,E)-2a,9b-Dihydroxy-6bH,11aH-13-norgermacra-1(10),4-dien-11,6-carbolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-4-11(16)6-9(2)13(17)7-12-10(3)15(18)19-14(12)5-8/h5-6,10-14,16-17H,4,7H2,1-3H3/b8-5+,9-6+/t10-,11+,12+,13+,14-/m1/s1
InChIKey: InChIKey=XQFRAPWSUOKCSN-FEKSARKZSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhang, H., Liao, Z.X., Yue, J.M. Helv Chim Acta (2004) 87, 976-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 13 13 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) | 131.8 |
| 2 (CH) | 68.2 |
| 3 (CH2) | 49.6 |
| 4 (C) | 139.7 |
| 5 (CH) | 130 |
| 6 (CH) | 80.3 |
| 7 (CH) | 46.3 |
| 8 (CH2) | 34.8 |
| 9 (CH) | 79.2 |
| 10 (C) | 138.9 |
| 11 (CH) | 41.2 |
| 12 (C) | 178.8 |
| 13 (CH3) | 10.8 |
| 14 (CH3) | 11.4 |
| 15 (CH3) | 18.2 |
