(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one

(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one

Common Name: (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one

Synonyms: (1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,2,3,3a,5,8,9,10,11,12,13,13a-Dodecahydro-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-11,13-bis[(2-methylpropionyl)oxy]-10-[(2-methylbutyryl)oxy]-12-methylene-4H-cyclopentacyclododecene-4-one

CAS Registry Number:

InChI: InChI=1S/C33H52O10/c1-12-18(6)31(39)43-26-25(42-30(38)17(4)5)21(9)24(41-29(37)16(2)3)22-23(34)20(8)15-33(22,40)27(35)19(7)13-14-32(10,11)28(26)36/h13-14,16-20,22-26,28,34,36,40H,9,12,15H2,1-8,10-11H3/b14-13+/t18?,19-,20-,22+,23-,24-,25-,26+,28+,33+/m0/s1

InChIKey: InChIKey=VJYZDSWWFJGHOU-BQIGYVBHSA-N

Formula: C33H52O10

Molecular Weight: 608.761253

Exact Mass: 608.356048

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jakupovic, J., Jeske, F., Morgenstern, T., Tsichritzis, F., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1583-600

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) 45
2 (CH) 38.1
3 (CH) 75.4
4 (CH) 50.2
5 (CH) 68.7
6 (C) 145.4
7 (CH) 69.1
8 (CH) 72.1
9 (CH) 81.6
10 (C) 41
11 (CH) 137.8
12 (CH) 128.5
13 (CH) 44.4
14 (C) 212.7
15 (C) 88.6
16 (CH3) 14.9
17 (CH2) 110.7
18 (CH3) 26.7
19 (CH3) 23.3
20 (CH3) 19.9
5a (C) 174.7
5b (CH) 34.1
5c (CH3) 18.6
5ba (CH3) 18.6
7a (C) 175.6
7b (CH) 34.1
7c (CH3) 18.7
7ba (CH3) 18.9
8a (C) 175.3
8b (CH) 41
8c (CH2) 26.7
8d (CH3) 11.4
8ba (CH3) 16.6