Methyl (1R,3aS,4E,6R,8S,8aR,9S,12aS,13S,13aS)-6,8,9,13-tetraacetoxy-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-5-carboxylate

Methyl (1R,3aS,4E,6R,8S,8aR,9S,12aS,13S,13aS)-6,8,9,13-tetraacetoxy-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-5-carboxylate

Common Name: Methyl (1R,3aS,4E,6R,8S,8aR,9S,12aS,13S,13aS)-6,8,9,13-tetraacetoxy-13a-hydroxy-1,8a,12-trimethyl-2-oxo-1,2,3a,6,7,8,8a,9,10,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-5-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O13/c1-13-9-10-21(39-16(4)31)28(7)22(40-17(5)32)12-20(38-15(3)30)19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h9,11,14,20-25,36H,10,12H2,1-8H3/b19-11+/t14-,20+,21-,22-,23-,24+,25-,28+,29-/m0/s1

InChIKey: InChIKey=SJILJXPJTCMLJN-JKQCREBTSA-N

Formula: C29H38O13

Molecular Weight: 594.605354

Exact Mass: 594.231241

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tanaka, C., Yamamoto, Y., Otsuka, M., Tanaka, J., Ichiba, T., Marriott, G., Rachmat, R., Higa, T. J Nat Prod (2004) 67, 1368-73

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) 44.3
2 (CH) 72.6
3 (CH2) 37.6
4 (CH) 67.3
5 (C) 138.8
6 (CH) 136.7
7 (CH) 77.3
8 (C) 82.4
9 (CH) 69.7
10 (CH) 40.3
11 (C) 134.2
12 (CH) 121.1
13 (CH2) 26.6
14 (CH) 72.9
15 (CH3) 14.1
16 (C) 168
17 (CH) 44
18 (CH3) 6.9
19 (C) 175.3
20 (CH3) 24.6
2a (C) 171
2b (CH3) 20.9
4a (C) 170.3
4b (CH3) 21.3
9a (C) 169.7
9b (CH3) 21.5
14a (C) 169.4
14b (CH3) 21.2
16a (CH3) 53.1