(3aR,5aR,6S,8R,8aS,8bS)-8b-Hydroxy-3a,5,5,8-tetramethyl-1-oxodecahydro-1H-cyclopenta[de]isochromen-6-yl acetate

(3aR,5aR,6S,8R,8aS,8bS)-8b-Hydroxy-3a,5,5,8-tetramethyl-1-oxodecahydro-1H-cyclopenta[de]isochromen-6-yl acetate

Common Name: (3aR,5aR,6S,8R,8aS,8bS)-8b-Hydroxy-3a,5,5,8-tetramethyl-1-oxodecahydro-1H-cyclopenta[de]isochromen-6-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H26O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1

InChIKey: InChIKey=MFOUCDNLAFNKML-SVLWDWOGSA-N

Formula: C17H26O5

Molecular Weight: 310.385994

Exact Mass: 310.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) 58.2
2 (CH) 32.1
3 (CH2) 40.7
4 (CH) 72.3
5 (CH) 62.2
6 (C) 41.5
7 (CH2) 49.9
8 (C) 44.5
9 (C) 84.7
10 (C) 174
11 (CH3) 22.3
12 (CH3) 36.9
13 (CH3) 27.7
14 (CH3) 23.9
15 (CH2) 76.7
4a (C) 169.1
4b (CH3) 22