(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

Common Name: (1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

Synonyms: (1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

CAS Registry Number:

InChI: InChI=1S/C32H42O14/c1-15-12-13-30(9,10)28(40)26(43-19(5)35)25(42-18(4)34)16(2)24(41-17(3)33)23-29(44-20(6)36)31(11,45-21(7)37)14-32(23,27(15)39)46-22(8)38/h12-13,15,23-26,29H,2,14H2,1,3-11H3/b13-12+/t15-,23+,24+,25+,26-,29-,31-,32-/m1/s1

InChIKey: InChIKey=OFUTZNNUWRTXHO-RQGSMOOYSA-N

Formula: C32H42O14

Molecular Weight: 650.668729

Exact Mass: 650.257456

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) 46.1
2 (C) 86.1
3 (CH) 78
4 (CH) 49.3
5 (CH) 67.9
6 (C) 143
7 (CH) 67.7
8 (CH) 74.2
9 (C) 205.5
10 (C) 48.4
11 (CH) 136
12 (CH) 133.4
13 (CH) 44.6
14 (C) 210.5
15 (C) 91.4
16 (CH3) 17.6
17 (CH2) 113
18 (CH3) 22.5
19 (CH3) 27.6
20 (CH3) 20.2
2a (C) 170.3
2b (CH3) 22
3a (C) 170.1
3b (CH3) 21.3
5a (C) 169.8
5b (CH3) 21
7a (C) 169.4
7b (CH3) 20.7
8a (C) 169.3
8b (CH3) 20.5
15a (C) 169.1
15b (CH3) 20.2