Spektraris NMR
1(10)E-3Z-(5R,7S,8S)-14-Acetyloxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),3,11(13)-trien-8,12-olide
Common Name: 1(10)E-3Z-(5R,7S,8S)-14-Acetyloxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),3,11(13)-trien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-13(2)8-21(25)28-12-17-7-5-6-16(11-27-15(4)23)9-20-18(10-19(17)24)14(3)22(26)29-20/h6-7,13,18-20,24H,3,5,8-12H2,1-2,4H3/b16-6+,17-7-/t18-,19-,20+/m1/s1
InChIKey: InChIKey=OPVPNOGTBBMACR-PYTMWKHTSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Catalan, C.A., Del, R.C.M., Hernandez, L.R., Joseph-Nathan, P. J Nat Prod (2003) 66, 949-53
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) | 130 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 130.9 |
| 4 (C) | 134.7 |
| 5 (CH) | 71.2 |
| 6 (CH2) | 38.7 |
| 7 (CH) | 39 |
| 8 (CH) | 84.3 |
| 9 (CH2) | 32.5 |
| 10 (C) | 132.7 |
| 11 (C) | 140.3 |
| 12 (C) | 169.6 |
| 13 (CH2) | 121.2 |
| 14 (CH2) | 66.5 |
| 15 (CH2) | 68.7 |
| 14a (C) | 170.7 |
| 14b (CH3) | 20.8 |
| 15a (C) | 172.9 |
| 15b (CH2) | 43.4 |
| 15c (CH) | 25.7 |
| 15d (CH3) | 22.4 |
| 15ca (CH3) | 22.4 |
