[(1R,2R,4aR,8R,8aS)-8-hydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

[(1R,2R,4aR,8R,8aS)-8-hydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

Common Name: [(1R,2R,4aR,8R,8aS)-8-hydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

Synonyms: [(1R,2R,4aR,8R,8aS)-8-hydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-5-oxo-2,3,4,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

CAS Registry Number:

InChI: InChI=1S/C17H28O5/c1-10(18)22-13-11(15(2,3)20)6-8-16(4)12(19)7-9-17(5,21)14(13)16/h11,13-14,20-21H,6-9H2,1-5H3/t11-,13-,14-,16+,17-/m1/s1

InChIKey: InChIKey=DZDNPOJNGAMWJD-VONAGELPSA-N

Formula: C17H28O5

Molecular Weight: 312.401876

Exact Mass: 312.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Gutierrez, M.C., Parra, A., Rivas, F. J Nat Prod (2002) 65, 1011-5

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 (C) 214.4
2 (CH2) 35.1
3 (CH2) 40.5
4 (C) 70.3
5 (CH) 55
6 (CH) 69.9
7 (CH) 52.4
8 (CH2) 18.9
9 (CH2) 35.9
10 (C) 46.9
11 (C) 71.6
12 (CH3) 26.7
13 (CH3) 29.2
14 (CH3) 20.7
15 (CH3) 24.6
6a (C) 172.6
6b (CH3) 22.1