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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-14(2)17-11-12-20(5)13-19(21)16(4)8-6-7-15(3)9-10-18(17)20/h7,10,14,17H,4,6,8-9,11-13H2,1-3,5H3/b15-7+,18-10-/t17-,20-/m0/s1

InChIKey: InChIKey=TUSPBQULTBUFEJ-JXDBENNFSA-N

Formula: C20H30O1

Molecular Weight: 286.452345

Exact Mass: 286.229666

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) 46.5
2 (CH2) 29.6
3 (C) 202.1
4 (C) 152.2
5 (CH2) 28.8
6 (CH2) 28.7
7 (CH) 125.6
8 (C) 136.8
9 (CH2) 38.8
10 (CH) 123.2
11 (C) 146.1
12 (CH) 48.8
13 (CH2) 22.7
14 (CH2) 34.5
15 (CH3) 29.1
16 (CH2) 123.3
17 (CH3) 17.6
18 (CH) 31.4
19 (CH3) 17.5
20 (CH3) 21.8