Common Name: Amoenolide K triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-15-9-20(34-18(4)29)22-23(5,13-31-16(2)27)10-19(33-17(3)28)11-24(22,6)26(15)8-7-25(35-36-26)12-21(30)32-14-25/h19-20,22H,1,7-14H2,2-6H3/t19-,20-,22-,23+,24-,25-,26+/m0/s1
InChIKey: InChIKey=YLPOSCSAKQQYET-BHVOINSMSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 1407-18
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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)
Position | PPM |
---|---|
1 (CH2) | 38.03 |
2 (CH) | 67.72 |
3 (CH2) | 42.79 |
4 (C) | 38.94 |
5 (CH) | 47.86 |
6 (CH) | 72.4 |
7 (CH2) | 38.94 |
8 (C) | 141.49 |
9 (C) | 85.82 |
10 (C) | 45.22 |
11 (CH2) | 19.44 |
12 (CH2) | 27.46 |
13 (C) | 83.23 |
14 (CH2) | 39.23 |
15 (C) | 173.65 |
16 (CH2) | 74.28 |
17 (CH2) | 116.29 |
18 (CH3) | 31.19 |
19 (CH2) | 68.01 |
20 (CH3) | 18.84 |
2a (C) | 169.94 |
2b (CH3) | 20.89 |
6a (C) | 170.53 |
6b (CH3) | 21.49 |
19a (C) | 171.01 |
19b (CH3) | 21.86 |