(3S,4aalpha)-3alpha,5alpha-Dihydroxy-3-(1-hydroxy-1-methylethyl)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-decahydronaphthalene-2-one

(3S,4aalpha)-3alpha,5alpha-Dihydroxy-3-(1-hydroxy-1-methylethyl)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-decahydronaphthalene-2-one

Common Name: (3S,4aalpha)-3alpha,5alpha-Dihydroxy-3-(1-hydroxy-1-methylethyl)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-decahydronaphthalene-2-one

Synonyms: (3S,4aalpha)-3alpha,5alpha-Dihydroxy-3-(1-hydroxy-1-methylethyl)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-decahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C20H32O7/c1-11-19(6,27-11)15(22)26-14-7-8-17(4)10-13(21)20(25,16(2,3)23)9-12(17)18(14,5)24/h11-12,14,23-25H,7-10H2,1-6H3/t11-,12+,14+,17+,18-,19-,20+/m0/s1

InChIKey: InChIKey=OQHDAIMQEQIUIF-XWDRLCGXSA-N

Formula: C20H32O7

Molecular Weight: 384.464657

Exact Mass: 384.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vera, N., Misico, R., Sierra, M.G., Asakawa, Y., Bardon, A. Phytochemistry (2008) 69, 1689-94

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 (CH2) 33.5
2 (CH2) 23.3
3 (CH) 78.2
4 (C) 71.5
5 (CH) 43.4
6 (CH2) 28.8
7 (C) 78.5
8 (C) 212.5
9 (CH2) 55.6
10 (C) 37.9
11 (C) 74.9
12 (CH3) 23.8
13 (CH3) 25
14 (CH3) 18.4
15 (CH3) 21.1
3a (C) 169.5
3b (C) 60.2
3c (CH) 59.8
3d (CH3) 14
3ba (CH3) 19.5