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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,10,13,18-19,22H,4,6,8-9,11-12H2,1-3,5H3/b14-7+,16-10-/t18-,19-,20+/m0/s1

InChIKey: InChIKey=NKHTWDHIBRDYEV-MDTDKSHQSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

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) 29.7
3 (C) 204.1
4 (C) 151.8
5 (CH2) 27.9
6 (CH2) 28.9
7 (CH) 125.9
8 (C) 136.3
9 (CH2) 39.6
10 (CH) 124
11 (C) 147.5
12 (CH) 60.5
13 (CH) 74.5
14 (CH2) 50.2
15 (CH3) 32.1
16 (CH2) 125.3
17 (CH3) 17.4
18 (CH) 32.1
19 (CH3) 19.7
20 (CH3) 21.1