(1aS,4aS,7aS,7bS)-4a-Hydroperoxy-1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-1H-cyclopropa[e]azulene

(1aS,4aS,7aS,7bS)-4a-Hydroperoxy-1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-1H-cyclopropa[e]azulene

Common Name: (1aS,4aS,7aS,7bS)-4a-Hydroperoxy-1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-1H-cyclopropa[e]azulene

Synonyms: (1aS,4aS,7aS,7bS)-4a-Hydroperoxy-1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-1H-cyclopropa[e]azulene

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-9-7-8-15(17-16)10(2)5-6-11-13(12(9)15)14(11,3)4/h7,11-13,16H,2,5-6,8H2,1,3-4H3/t11-,12+,13-,15+/m0/s1

InChIKey: InChIKey=PQSFAAXMBHDTEL-SFDCQRBFSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

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 : Sesquiterpenoids, Group : Aromadendranes; 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) 86.8
2 (CH2) 44.5
3 (CH) 120
4 (C) 141.9
5 (CH) 56.6
6 (CH) 28.8
7 (CH) 24.8
8 (CH2) 21.2
9 (CH2) 33.2
10 (C) 150.9
11 (C) 18.4
12 (CH3) 28.6
13 (CH3) 15.8
14 (CH2) 112.9
15 (CH3) 15.4