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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H50O14/c1-9-10-11-12-13-14-24(39)47-26-18(2)17-23-34(43,33(8,30(41)46-23)48-21(5)37)29(45-20(4)36)27-31(6,16-15-22(38)32(27,7)42)28(25(26)40)44-19(3)35/h15-17,22-23,25-29,38,40,42-43H,9-14H2,1-8H3/b18-17-/t22-,23+,25-,26+,27-,28+,29+,31+,32-,33-,34+/m1/s1

InChIKey: InChIKey=ROCJTUUQBOJIPM-VYELVUAPSA-N

Formula: C34H50O14

Molecular Weight: 682.753727

Exact Mass: 682.320056

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) 71.1
4 (CH) 76.5
5 (C) 139.4
6 (CH) 125.8
7 (CH) 77.9
8 (C) 80.1
9 (CH) 67
10 (CH) 40.4
11 (C) 75.9
12 (CH) 70.8
13 (CH) 123.6
14 (CH) 138.6
15 (CH3) 15.5
16 (CH3) 25.9
17 (C) 84.9
18 (CH3) 14.9
19 (C) 171.2
20 (CH3) 23.5
2a (C) 168.3
2b (CH3) 20.9
4a (C) 173.8
4b (CH2) 34.5
4c (CH2) 24.9
4d (CH2) 29
4e (CH2) 29
4f (CH2) 31.6
4g (CH2) 22.6
4h (CH3) 14.1
9a (C) 169
9b (CH3) 21.6
17a (C) 169.7
17b (CH3) 22.4