(3R,3aalpha,4aalpha,9abeta)-2-Oxo-3alpha,5,8abeta-trimethyldodecahydronaphtho[2,3-b]furan-4alpha,5alpha,8beta-triol 4-acetate

(3R,3aalpha,4aalpha,9abeta)-2-Oxo-3alpha,5,8abeta-trimethyldodecahydronaphtho[2,3-b]furan-4alpha,5alpha,8beta-triol 4-acetate

Common Name: (3R,3aalpha,4aalpha,9abeta)-2-Oxo-3alpha,5,8abeta-trimethyldodecahydronaphtho[2,3-b]furan-4alpha,5alpha,8beta-triol 4-acetate

Synonyms: (3R,3aalpha,4aalpha,9abeta)-2-Oxo-3alpha,5,8abeta-trimethyldodecahydronaphtho[2,3-b]furan-4alpha,5alpha,8beta-triol 4-acetate

CAS Registry Number:

InChI: InChI=1S/C17H26O6/c1-8-12-10(23-15(8)20)7-16(3)11(19)5-6-17(4,21)14(16)13(12)22-9(2)18/h8,10-14,19,21H,5-7H2,1-4H3/t8-,10+,11-,12-,13+,14-,16+,17-/m1/s1

InChIKey: InChIKey=UBTQDHGVDNEFLI-HWAIOWLJSA-N

Formula: C17H26O6

Molecular Weight: 326.385399

Exact Mass: 326.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Galal, A.M. J Nat Prod (2001) 64, 1098-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 78.3
2 (CH2) 27.9
3 (CH2) 40.2
4 (C) 72.3
5 (CH) 57.2
6 (CH) 72.6
7 (CH) 57.9
8 (CH) 76.4
9 (CH2) 43.2
10 (C) 41.8
11 (CH) 41.1
12 (C) 178.6
13 (CH3) 14.4
14 (CH3) 16.2
15 (CH3) 24.7
6a (C) 170.1
6b (CH3) 21.8