Chagreslactone

Chagreslactone

Common Name: Chagreslactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O8/c1-13-16-10-18(28)33-25(16,30-6)11-17-19(13)20(29)21(32-15(3)27)22-23(4,12-31-14(2)26)8-7-9-24(17,22)5/h10,13,17,19-22,29H,7-9,11-12H2,1-6H3/t13-,17-,19-,20+,21+,22-,23-,24+,25+/m0/s1

InChIKey: InChIKey=HDDNZVWBRRAOGK-LQDYNQSPSA-N

Formula: C25H36O8

Molecular Weight: 464.549504

Exact Mass: 464.241018

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Torres-Mendoza, D., Urena Gonzalez, L.D., Ortega-Barria, E., Coley, P.D., Kursar, T.A., Capson, T.L., McPhail, K., Cubilla-Rios, L. J Nat Prod (2004) 67, 1711-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) 41.4
2 (CH2) 18
3 (CH2) 37.5
4 (C) 37.4
5 (CH) 48
6 (CH) 72.8
7 (CH) 72.3
8 (CH) 42.2
9 (CH) 43.6
10 (C) 37.6
11 (CH2) 37.2
12 (C) 107.8
13 (C) 170.8
14 (CH) 32.2
15 (CH) 116.3
16 (C) 170.1
17 (CH3) 11.3
18 (CH2) 72.3
19 (CH3) 19.6
20 (CH3) 17.9
6a (C) 172.6
6b (CH3) 21.1
12a (CH3) 51
18a (C) 171
18b (CH3) 21.7