(1R,2R,2aR,4aR,5S,7R,7aR,7bR)-1,2,7b-Trihydroxy-2a,4,4,7-tetramethyldecahydro-1H-cyclopenta[cd]inden-5-yl acetate

(1R,2R,2aR,4aR,5S,7R,7aR,7bR)-1,2,7b-Trihydroxy-2a,4,4,7-tetramethyldecahydro-1H-cyclopenta[cd]inden-5-yl acetate

Common Name: (1R,2R,2aR,4aR,5S,7R,7aR,7bR)-1,2,7b-Trihydroxy-2a,4,4,7-tetramethyldecahydro-1H-cyclopenta[cd]inden-5-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O5/c1-8-6-10(22-9(2)18)13-15(3,4)7-16(5)14(20)12(19)11(8)17(13,16)21/h8,10-14,19-21H,6-7H2,1-5H3/t8-,10+,11-,12-,13+,14+,16-,17-/m1/s1

InChIKey: InChIKey=XEUSNZUHUUORTO-SJSNFWCWSA-N

Formula: C17H28O5

Molecular Weight: 312.401876

Exact Mass: 312.193674

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) 58.1
2 (CH) 22.2
3 (CH2) 39.6
4 (CH) 72.7
5 (CH) 59.7
6 (C) 46.6
7 (CH2) 48.4
8 (C) 57.2
9 (C) 95.9
10 (CH) 89.1
11 (CH3) 20.9
12 (CH3) 36.4
13 (CH3) 27.5
14 (CH3) 33.5
15 (CH) 84.1
4a (C) 170.5
4b (CH3) 21.4