(3aS,4S,5R,6Z,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

(3aS,4S,5R,6Z,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

Common Name: (3aS,4S,5R,6Z,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,12,17-20,23-24H,3,5-7,10-11H2,1-2,4H3/b15-9-,16-8-/t12?,17-,18+,19-,20+/m1/s1

InChIKey: InChIKey=LQQVURUBFJKELJ-ZUQNFHOXSA-N

Formula: C22H30O8

Molecular Weight: 422.469652

Exact Mass: 422.194068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cartagena, E., Bardon, A., Catalan, C.A., de Hernandez, Z.N., Hernandez, L.R., Joseph-Nathan, P. J Nat Prod (2000) 63, 1323-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) 134.5
2 (CH2) 26.5
3 (CH2) 33.1
4 (C) 141.8
5 (CH) 128
6 (CH) 72.3
7 (CH) 51
8 (CH) 68.8
9 (CH) 74
10 (C) 136
11 (C) 134
12 (C) 169.3
13 (CH2) 121.3
14 (CH2) 64
15 (CH2) 60.9
8a (C) 175.4
8b (CH) 41.4
8c (CH2) 26.3
8d (CH3) 11.6
8ba (CH3) 16.9
9a (C) 169.9
9b (CH3) 21