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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C32H44O12/c1-15(2)30(39)43-26-18(5)25(41-20(7)34)23-24(40-19(6)33)17(4)14-32(23,44-22(9)36)28(37)16(3)12-13-31(10,11)29(38)27(26)42-21(8)35/h12-13,15-17,23-27H,5,14H2,1-4,6-11H3/b13-12+/t16-,17-,23+,24-,25-,26-,27+,32+/m0/s1

InChIKey: InChIKey=RJZXOZUPYZOZOO-SCYWKRQOSA-N

Formula: C32H44O12

Molecular Weight: 620.685801

Exact Mass: 620.283277

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marco, J.A., Sanz-Cervera, J.F., Yuste, A., Jakupovic, J., Jeske, F. Phytochemistry (1998) 47, 1621-30

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) 44.6
2 (CH) 38.6
3 (CH) 76.3
4 (CH) 49.6
5 (CH) 71.5
6 (C) 137.3
7 (CH) 63.4
8 (CH) 73.8
9 (C) 204.7
10 (C) 49
11 (CH) 135
12 (CH) 133.3
13 (CH) 43.2
14 (C) 203.9
15 (C) 90.4
16 (CH3) 13.6
17 (CH2) 122.5
18 (CH3) 23.7
19 (CH3) 25.9
20 (CH3) 20.1
3a (C) 170.1
3b (CH3) 21.2
5a (C) 169.7
5b (CH3) 20.9
7a (C) 176.3
7b (CH) 33.7
7c (CH3) 19.4
7ba (CH3) 18
8a (C) 168.8
8b (CH3) 20.4
15a (C) 169
15b (CH3) 20.7