4beta,4abeta-Dimethyl-5alpha,6alpha-isopropylidene-3,4,4a,5,6,8aalpha-hexahydronaphthalene-1(2H)-one

4beta,4abeta-Dimethyl-5alpha,6alpha-isopropylidene-3,4,4a,5,6,8aalpha-hexahydronaphthalene-1(2H)-one

Common Name: 4beta,4abeta-Dimethyl-5alpha,6alpha-isopropylidene-3,4,4a,5,6,8aalpha-hexahydronaphthalene-1(2H)-one

Synonyms: 4beta,4abeta-Dimethyl-5alpha,6alpha-isopropylidene-3,4,4a,5,6,8aalpha-hexahydronaphthalene-1(2H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-9-5-8-12(16)10-6-7-11-13(14(11,2)3)15(9,10)4/h6-7,9-11,13H,5,8H2,1-4H3/t9-,10+,11-,13+,15+/m1/s1

InChIKey: InChIKey=FBJLFFATMTVRLU-LIIPTPMRSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ji, N.Y., Li, X.M., Ding, L.P., Wang, B.G. Helv Chim Acta (2007) 90, 385-91

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aristolanes; 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) 209.9
2 (CH2) 40.5
3 (CH2) 31.4
4 (CH) 40.1
5 (C) 39.1
6 (CH) 35.1
7 (CH) 24.7
8 (CH) 127.3
9 (CH) 118.8
10 (CH) 54.7
11 (C) 26.1
12 (CH3) 16
13 (CH3) 30.5
14 (CH3) 15.9
15 (CH3) 15.5