Amoenolide K triacetate

Amoenolide K triacetate

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)

Carbon NMR Peaks

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