1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4-bis(hydroxymethyl)-1,7beta-dimethyl-3H-cyclopropa[e]azulene-3-one

1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4-bis(hydroxymethyl)-1,7beta-dimethyl-3H-cyclopropa[e]azulene-3-one

Common Name: 1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4-bis(hydroxymethyl)-1,7beta-dimethyl-3H-cyclopropa[e]azulene-3-one

Synonyms: 1,1abeta,2,5,6,7,7aalpha,7bbeta-Octahydro-1alpha,4-bis(hydroxymethyl)-1,7beta-dimethyl-3H-cyclopropa[e]azulene-3-one

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-8-3-4-9-10(6-16)12(18)5-11-14(13(8)9)15(11,2)7-17/h8,11,13-14,16-17H,3-7H2,1-2H3/t8-,11-,13-,14-,15-/m1/s1

InChIKey: InChIKey=VLGRNQGKSPLWPJ-ZENKMJSXSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collins, D.O., Buchanan, G.O., Reynolds, W.F., Reese, P.B. Phytochemistry (2001) 57, 377-83

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) 170.2
2 (CH2) 33.1
3 (CH2) 32.3
4 (CH) 36.9
5 (CH) 44.5
6 (CH) 27.7
7 (CH) 19.4
8 (CH2) 41.6
9 (C) 202.8
10 (C) 133.7
11 (C) 31.7
12 (CH2) 71.7
13 (CH3) 11.6
14 (CH2) 61.1
15 (CH3) 15.3