(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-7,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1-(propionyloxy)-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2- b]furan-6-yl octanoate

(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-7,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1-(propionyloxy)-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2- b]furan-6-yl octanoate

Common Name: (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-8,13-Diacetoxy-7,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1-(propionyloxy)-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2- b]furan-6-yl octanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H52O14/c1-9-11-12-13-14-15-25(40)48-27-19(3)18-23-35(44,34(8,31(42)47-23)49-24(39)10-2)30(46-21(5)37)28-32(6,17-16-22(38)33(28,7)43)29(26(27)41)45-20(4)36/h16-18,22-23,26-30,38,41,43-44H,9-15H2,1-8H3/b19-18-/t22-,23+,26-,27+,28-,29+,30+,32+,33-,34-,35+/m1/s1

InChIKey: InChIKey=MNGHMRYKDIQJMZ-OMQTYFEBSA-N

Formula: C35H52O14

Molecular Weight: 696.780345

Exact Mass: 696.335706

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) 46.5
2 (CH) 76.9
3 (CH) 71.2
4 (CH) 76.5
5 (C) 139.3
6 (CH) 125.9
7 (CH) 77.8
8 (C) 80
9 (CH) 67
10 (CH) 40.6
11 (C) 75.8
12 (CH) 70.9
13 (CH) 123.5
14 (CH) 138.7
15 (CH3) 15.6
16 (CH3) 25.8
17 (C) 84.8
18 (CH3) 14.8
19 (C) 171
20 (CH3) 23.5
2a (C) 169
2b (CH3) 20.9
4a (C) 173.8
4b (CH2) 34.5
4c (CH2) 24.9
4d (CH2) 29.1
4e (CH2) 28.9
4f (CH2) 31.7
4g (CH2) 22.6
4h (CH3) 14
9a (C) 169.7
9b (CH3) 22.3
17a (C) 171.9
17b (CH2) 27.9
17c (CH3) 8.9