(4aS)-4,4,4abeta,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzocycloheptene-6beta,7beta-diol

(4aS)-4,4,4abeta,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzocycloheptene-6beta,7beta-diol

Common Name: (4aS)-4,4,4abeta,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzocycloheptene-6beta,7beta-diol

Synonyms: (4aS)-4,4,4abeta,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzocycloheptene-6beta,7beta-diol

CAS Registry Number:

InChI: InChI=1S/C15H26O2/c1-13(2)8-5-6-11-7-9-15(4,17)12(16)10-14(11,13)3/h7,12,16-17H,5-6,8-10H2,1-4H3/t12-,14-,15+/m1/s1

InChIKey: InChIKey=CNBXXCQPWFOWPO-YUELXQCFSA-N

Formula: C15H26O2

Molecular Weight: 238.366308

Exact Mass: 238.19328

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nunez, Y.O., Salabarria, I.S., Collado, I.G., Hernandez-Galan, R. Phytochemistry (2007) 68, 2409-14

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pseudowiddranes; 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) 50.9
2 (CH2) 24.7
3 (CH) 72.2
4 (C) 69.4
5 (CH2) 33.1
6 (CH) 122.1
7 (C) 147.6
8 (CH2) 36.6
9 (CH2) 19.1
10 (CH2) 40.4
11 (C) 43.7
12 (CH3) 24.9
13 (CH3) 22.8
14 (CH3) 26.2
15 (CH3) 24.6