(1S,2R,4aS,5R,6R,7S,8Z,9aS,11aR,12aS,13R,13aS)-5,13-Diacetoxy-1,2,6-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl hex anoate

(1S,2R,4aS,5R,6R,7S,8Z,9aS,11aR,12aS,13R,13aS)-5,13-Diacetoxy-1,2,6-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl hex anoate

Common Name: (1S,2R,4aS,5R,6R,7S,8Z,9aS,11aR,12aS,13R,13aS)-5,13-Diacetoxy-1,2,6-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-7-yl hex anoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H42O12/c1-8-9-10-11-20(34)41-22-15(2)14-19-30(29(7,42-30)26(36)40-19)25(39-17(4)32)23-27(5,13-12-18(33)28(23,6)37)24(21(22)35)38-16(3)31/h12-14,18-19,21-25,33,35,37H,8-11H2,1-7H3/b15-14-/t18-,19+,21-,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1

InChIKey: InChIKey=NEVJJHKZAXLEKD-AXGHJJIISA-N

Formula: C30H42O12

Molecular Weight: 594.648448

Exact Mass: 594.267627

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Iwagawa, T., Babazono, K., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. Heterocycles (2005) 65, 607-17

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) 47.1
2 (CH) 76.7
3 (CH) 71.5
4 (CH) 76.6
5 (C) 141.1
6 (CH) 124.2
7 (CH) 73.6
8 (C) 71.2
9 (CH) 65.4
10 (CH) 43.8
11 (C) 73.7
12 (CH) 70.2
13 (CH) 125
14 (CH) 138
15 (CH3) 15.5
16 (CH3) 25.5
17 (C) 64.5
18 (CH3) 9.7
19 (C) 170.5
20 (CH3) 21.4
2a (C) 168.4
2b (CH3) 20.9
4a (C) 173.5
4b (CH2) 34.3
4c (CH2) 31.1
4d (CH2) 24.6
4e (CH2) 22.3
4f (CH3) 13.9
9a (C) 169.5
9b (CH3) 21.4