(1S,5S,9E,12Z)-1,2,3,3a,4,5,6,7,8,11-Decahydro-1alpha-isopropyl-3aalpha,10-dimethyl-6-methylenecyclopentacycloundecene-5-ol

(1S,5S,9E,12Z)-1,2,3,3a,4,5,6,7,8,11-Decahydro-1alpha-isopropyl-3aalpha,10-dimethyl-6-methylenecyclopentacycloundecene-5-ol

Common Name: (1S,5S,9E,12Z)-1,2,3,3a,4,5,6,7,8,11-Decahydro-1alpha-isopropyl-3aalpha,10-dimethyl-6-methylenecyclopentacycloundecene-5-ol

Synonyms: (1S,5S,9E,12Z)-1,2,3,3a,4,5,6,7,8,11-Decahydro-1alpha-isopropyl-3aalpha,10-dimethyl-6-methylenecyclopentacycloundecene-5-ol

CAS Registry Number:

InChI: InChI=1S/C20H32O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,10,14,17,19,21H,4,6,8-9,11-13H2,1-3,5H3/b15-7+,18-10-/t17-,19-,20-/m0/s1

InChIKey: InChIKey=LVJSJETVMXBUIN-KDTINLHCSA-N

Formula: C20H32O1

Molecular Weight: 288.468227

Exact Mass: 288.245316

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, S.K., Huang, M.J., Duh, C.Y. J Nat Prod (2006) 69, 1411-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) 46.1
2 (CH2) 51.7
3 (CH) 73.3
4 (C) 155.4
5 (CH2) 35.9
6 (CH2) 30.5
7 (CH) 124.9
8 (C) 136.7
9 (CH2) 39.4
10 (CH) 122.7
11 (C) 150
12 (CH) 49.6
13 (CH2) 24.6
14 (CH2) 37.5
15 (CH3) 29
16 (CH2) 111.4
17 (CH3) 17.2
18 (CH) 32.1
19 (CH3) 18.5
20 (CH3) 21.7