(1R,5R,6E,10R,11S,13R)-2,3,3a,10,11,12,13,13aalpha-Octahydro-1beta,2alpha,3abeta,11,13-pentaacetoxy-2,5,8,8-tetramethyl-10-(tigloyloxy)-12-methylene-1H-cyclopentacyclododecene-4,9(5H,8H)-dione

(1R,5R,6E,10R,11S,13R)-2,3,3a,10,11,12,13,13aalpha-Octahydro-1beta,2alpha,3abeta,11,13-pentaacetoxy-2,5,8,8-tetramethyl-10-(tigloyloxy)-12-methylene-1H-cyclopentacyclododecene-4,9(5H,8H)-dione

Common Name: (1R,5R,6E,10R,11S,13R)-2,3,3a,10,11,12,13,13aalpha-Octahydro-1beta,2alpha,3abeta,11,13-pentaacetoxy-2,5,8,8-tetramethyl-10-(tigloyloxy)-12-methylene-1H-cyclopentacyclododecene-4,9(5H,8H)-dione

Synonyms: (1R,5R,6E,10R,11S,13R)-2,3,3a,10,11,12,13,13aalpha-Octahydro-1beta,2alpha,3abeta,11,13-pentaacetoxy-2,5,8,8-tetramethyl-10-(tigloyloxy)-12-methylene-1H-cyclopentacyclododecene-4,9(5H,8H)-dione

CAS Registry Number:

InChI: InChI=1S/C35H46O14/c1-13-17(2)32(43)47-28-27(45-21(6)37)19(4)26(44-20(5)36)25-31(46-22(7)38)34(12,48-23(8)39)16-35(25,49-24(9)40)29(41)18(3)14-15-33(10,11)30(28)42/h13-15,18,25-28,31H,4,16H2,1-3,5-12H3/b15-14+,17-13+/t18-,25+,26+,27+,28-,31-,34-,35-/m1/s1

InChIKey: InChIKey=UKVKACNHLXTJKA-BXADOLSOSA-N

Formula: C35H46O14

Molecular Weight: 690.7327

Exact Mass: 690.288756

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Jakupovic, S., Tron, G.C., Jakupovic, J., Milon, V., Ballero, M. J Nat Prod (1998) 61, 749-56

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) 46.2
2 (C) 86.2
3 (CH) 78.1
4 (CH) 49.4
5 (CH) 68
6 (C) 143.4
7 (CH) 68
8 (CH) 74.3
9 (C) 205.5
10 (C) 48.5
11 (CH) 136.3
12 (CH) 133.3
13 (CH) 44.8
14 (C) 210.6
15 (C) 91.6
16 (CH3) 17.6
17 (CH2) 113.1
18 (CH3) 22.6
19 (CH3) 27.9
20 (CH3) 20.3
2a (C) 170.4
2b (CH3) 22.1
3a (C) 170.1
3b (CH3) 21.4
5a (C) 169.5
5b (CH3) 21.1
7a (C) 169.2
7b (CH3) 20.8
8a (C) 166
8b (C) 138.6
8c (CH) 127.7
8d (CH3) 12
8ba (CH3) 14.5
15a (C) 169.2
15b (CH3) 20.6