(4aS,4aalpha)-1-Hydroxymethylene-5,5,8abeta-trimethyloctahydronaphthalen-2(1H)-one

(4aS,4aalpha)-1-Hydroxymethylene-5,5,8abeta-trimethyloctahydronaphthalen-2(1H)-one

Common Name: (4aS,4aalpha)-1-Hydroxymethylene-5,5,8abeta-trimethyloctahydronaphthalen-2(1H)-one

Synonyms: (4aS,4aalpha)-1-Hydroxymethylene-5,5,8abeta-trimethyloctahydronaphthalen-2(1H)-one

CAS Registry Number:

InChI: InChI=1S/C14H22O2/c1-13(2)7-4-8-14(3)10(9-15)11(16)5-6-12(13)14/h9,12,15H,4-8H2,1-3H3/b10-9+/t12-,14+/m0/s1

InChIKey: InChIKey=SYMFXYDWORSDKZ-JMRXXTBOSA-N

Formula: C14H22O2

Molecular Weight: 222.323809

Exact Mass: 222.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Paul, V.J., Seo, Y., Cho, K.W., Rho, J.R., Shin, J., Bergquist, P.R. J Nat Prod (1997) 60, 1115-20

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) 38.3
2 (CH2) 18.9
3 (CH2) 41.4
4 (C) 32.9
5 (CH) 50.3
6 (CH2) 17.7
7 (CH2) 33.1
8 (C) 188.9
9 (C) 122.8
10 (C) 35.3
11 (CH) 183
13 (CH3) 33.3
14 (CH3) 21.3
15 (CH3) 25