Spektraris NMR
1(10)E-(3S,4R,5R,7S,8S)-14-Acetyloxy-3,4-epoxy-5-hydroxy-15-senecioyloxygermacra-1(10),11(13)-dien-8,12olide
Common Name: 1(10)E-(3S,4R,5R,7S,8S)-14-Acetyloxy-3,4-epoxy-5-hydroxy-15-senecioyloxygermacra-1(10),11(13)-dien-8,12olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12(2)7-20(25)28-11-22-18(24)9-16-13(3)21(26)29-17(16)8-15(10-27-14(4)23)5-6-19(22)30-22/h5,7,16-19,24H,3,6,8-11H2,1-2,4H3/b15-5+/t16-,17+,18-,19+,22-/m1/s1
InChIKey: InChIKey=IIXZMAXINFNCGN-DGRDYZOHSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
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) | 127.3 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 60.5 |
| 4 (C) | 61.8 |
| 5 (CH) | 69.4 |
| 6 (CH2) | 35.5 |
| 7 (CH) | 36.7 |
| 8 (CH) | 84.3 |
| 9 (CH2) | 31 |
| 10 (C) | 134.6 |
| 11 (C) | 140.2 |
| 12 (C) | 169.6 |
| 13 (CH2) | 121.4 |
| 14 (CH2) | 68.4 |
| 15 (CH2) | 66 |
| 14a (C) | 170.5 |
| 14b (CH3) | 20.6 |
| 15a (C) | 165.4 |
| 15b (CH) | 114.6 |
| 15c (C) | 159.3 |
| 15d (CH3) | 27.4 |
| 15ca (CH3) | 20.3 |
