(2R*,3S*,4R*,5R*,9S*,11S*,15R*)-3,5,15-Triacetoxy-14-oxolathyra-6(17),12E-diene

(2R*,3S*,4R*,5R*,9S*,11S*,15R*)-3,5,15-Triacetoxy-14-oxolathyra-6(17),12E-diene

Common Name: (2R*,3S*,4R*,5R*,9S*,11S*,15R*)-3,5,15-Triacetoxy-14-oxolathyra-6(17),12E-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O7/c1-13-9-10-19-20(25(19,7)8)11-14(2)24(30)26(33-18(6)29)12-15(3)23(32-17(5)28)21(26)22(13)31-16(4)27/h11,15,19-23H,1,9-10,12H2,2-8H3/b14-11+/t15-,19+,20-,21+,22+,23+,26-/m1/s1

InChIKey: InChIKey=WFMPZQDIRPRCNA-BKCYVMMZSA-N

Formula: C26H36O7

Molecular Weight: 460.560835

Exact Mass: 460.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ferreira, A.M., Carvalho, L.H., Carvalho, M.J., Sequeira, M.M., Silva, A.M. Phytochemistry (2002) 61, 373-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) 42.7
2 (CH) 37
3 (CH) 82.6
4 (CH) 48.6
5 (CH) 66.4
6 (C) 144.9
7 (CH2) 34.4
8 (CH2) 21.6
9 (CH) 35.7
10 (C) 26
11 (CH) 28.4
12 (CH) 145.2
13 (C) 134.2
14 (C) 195.4
15 (C) 92.6
16 (CH3) 18.5
17 (CH2) 113.5
18 (CH3) 28.8
19 (CH3) 16.6
20 (CH3) 12.4
3a (C) 170
3b (CH3) 20.9
5a (C) 169.7
5b (CH3) 21
15a (C) 170.7
15b (CH3) 21.7