Methyl (1S,5R,7R,10S,11E,14R)-14-isopropenyl-7-methyl-3,9-dioxo-4,16,17-trioxatetracyclo[10.3.1.12,5.17,10]octadeca-2(18),11-diene-11-carboxylate

Methyl (1S,5R,7R,10S,11E,14R)-14-isopropenyl-7-methyl-3,9-dioxo-4,16,17-trioxatetracyclo[10.3.1.12,5.17,10]octadeca-2(18),11-diene-11-carboxylate

Common Name: Methyl (1S,5R,7R,10S,11E,14R)-14-isopropenyl-7-methyl-3,9-dioxo-4,16,17-trioxatetracyclo[10.3.1.12,5.17,10]octadeca-2(18),11-diene-11-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H24O7/c1-10(2)11-5-15-13-7-12(26-19(13)23)8-21(3)9-14(22)18(28-21)17(20(24)25-4)16(6-11)27-15/h7,11-12,15,18H,1,5-6,8-9H2,2-4H3/b17-16+/t11-,12+,15+,18-,21-/m1/s1

InChIKey: InChIKey=UNTGQDGFBQQJKZ-SUCYXBIQSA-N

Formula: C21H24O7

Molecular Weight: 388.411866

Exact Mass: 388.152203

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kamel, H.N., Ferreira, D., Garcia-Fernandez, L.F., Slattery, M. J Nat Prod (2007) 70, 1223-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) 36.3
2 (CH2) 32.9
3 (C) 171.6
4 (C) 111.7
5 (CH) 75.7
6 (C) 211.9
7 (CH2) 48.5
8 (C) 79.9
9 (CH2) 41.7
10 (CH) 79.2
11 (CH) 152.3
12 (C) 134.2
13 (CH) 74.7
14 (CH2) 28.8
15 (C) 147.2
16 (CH2) 110.6
17 (CH3) 21.5
18 (C) 167.7
19 (CH3) 28.4
20 (C) 171.6
18a (CH3) 51.1