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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O5/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/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14-,16-,17-/m1/s1

InChIKey: InChIKey=QUGYVDURDBEQRB-VZJVBFQISA-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) 55
2 (CH) 29
3 (CH2) 39.8
4 (CH) 72.6
5 (CH) 59.6
6 (C) 38.8
7 (CH2) 50.2
8 (C) 45.5
9 (C) 82.5
10 (CH) 92.3
11 (CH3) 20.1
12 (CH3) 35.6
13 (CH3) 27.3
14 (CH3) 25
15 (CH2) 67.7
4a (C) 170.5
4b (CH3) 21.4