(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-6,8,13-Triacetoxy-1,11,12,13a-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-7-yl b utyrate

(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-6,8,13-Triacetoxy-1,11,12,13a-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-7-yl b utyrate

Common Name: (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-6,8,13-Triacetoxy-1,11,12,13a-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-7-yl b utyrate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H42O14/c1-9-10-20(35)44-22-21(40-15(3)31)14(2)13-19-30(39,29(8,38)26(36)43-19)25(42-17(5)33)23-27(6,24(22)41-16(4)32)12-11-18(34)28(23,7)37/h11-13,18-19,21-25,34,37-39H,9-10H2,1-8H3/b14-13-/t18-,19+,21+,22-,23-,24+,25+,27+,28-,29-,30+/m1/s1

InChIKey: InChIKey=UDGYMSOYAUBBQL-XBTCCKFTSA-N

Formula: C30H42O14

Molecular Weight: 626.647258

Exact Mass: 626.257456

NMR Solvent: CD3OD

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) 48
2 (CH) 79.1
3 (CH) 72.5
4 (CH) 78.3
5 (C) 139.1
6 (CH) 129.2
7 (CH) 79.4
8 (C) 80
9 (CH) 67.7
10 (CH) 39.5
11 (C) 76.5
12 (CH) 71.9
13 (CH) 126.3
14 (CH) 140.1
15 (CH3) 16.5
16 (CH3) 26.2
17 (C) 80.8
18 (CH3) 16.2
19 (C) 178.8
20 (CH3) 22.8
2a (C) 171.9
2b (CH3) 20.5
3a (C) 173
3b (CH2) 37.2
3c (CH2) 19.6
3d (CH3) 14
4a (C) 171.9
4b (CH3) 20.9
9a (C) 173.7
9b (CH3) 22.5