Spektraris NMR
(1(10)E,4E,8Z)-8-(Angeloyloxy)-6a,15-dihydroxy-14-oxogermacra-(1(10) ,4,8,11(13)-tetraen-12-oic acid 12,6-lactone
Common Name: (1(10)E,4E,8Z)-8-(Angeloyloxy)-6a,15-dihydroxy-14-oxogermacra-(1(10) ,4,8,11(13)-tetraen-12-oic acid 12,6-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,8-10,17-18,22H,3,5,7,11H2,1-2H3/b12-4-,14-6+,15-9+,16-8-/t17-,18-/m1/s1
InChIKey: InChIKey=SOBPSHVITWFWJT-ULIRTNQWSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xiang, Y., Fan, C.Q., Yue, J.M. Helv Chim Acta (2005) 88, 160-70
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) | 156.6 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 32.5 |
| 4 (C) | 143.6 |
| 5 (CH) | 124 |
| 6 (CH) | 77.3 |
| 7 (CH) | 52.7 |
| 8 (C) | 144.5 |
| 9 (CH) | 113.9 |
| 10 (C) | 140.3 |
| 11 (C) | 131.9 |
| 12 (C) | 168.1 |
| 13 (CH2) | 121.9 |
| 14 (CH) | 190.9 |
| 15 (CH2) | 60.7 |
| 8a (C) | 165 |
| 8b (C) | 125.1 |
| 8c (CH) | 142.7 |
| 8d (CH3) | 15.2 |
| 8ba (CH3) | 19.4 |
