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

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

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

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=MBHVNAKPTPFWNG-MYFMSEKESA-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) 47.9
2 (CH) 33.7
3 (CH2) 38.5
4 (CH) 72.6
5 (CH) 61
6 (C) 39.6
7 (CH2) 49.9
8 (C) 54.3
9 (C) 86.3
10 (CH2) 70.9
11 (CH3) 19.7
12 (CH3) 36.2
13 (CH3) 27.3
14 (CH3) 20
15 (C) 173.5
4a (C) 170.4
4b (CH3) 21.4