(1AR,1BS,2R,7AR)-1,1,2,5-TETRAMETHYL-1H,1AH,1BH,2H,3H,4H,6H,7H,7AH-CYCLOPROPA[E]AZULEN-6-ONE

(1AR,1BS,2R,7AR)-1,1,2,5-TETRAMETHYL-1H,1AH,1BH,2H,3H,4H,6H,7H,7AH-CYCLOPROPA[E]AZULEN-6-ONE

Common Name: (1AR,1BS,2R,7AR)-1,1,2,5-TETRAMETHYL-1H,1AH,1BH,2H,3H,4H,6H,7H,7AH-CYCLOPROPA[E]AZULEN-6-ONE

Synonyms: (1AR,1BS,2R,7AR)-1,1,2,5-TETRAMETHYL-1H,1AH,1BH,2H,3H,4H,6H,7H,7AH-CYCLOPROPA[E]AZULEN-6-ONE

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-8-5-6-10-9(2)12(16)7-11-14(13(8)10)15(11,3)4/h8,11,13-14H,5-7H2,1-4H3/t8-,11-,13-,14-/m1/s1

InChIKey: InChIKey=FUIPJCVSKAWFTI-KLPZLMTLSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

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) 166.4
2 (CH2) 34.1
3 (CH2) 32.2
4 (CH) 37.2
5 (CH) 45.2
6 (CH) 31.3
7 (CH) 22.8
8 (CH2) 41.9
9 (C) 201
10 (C) 130.3
11 (C) 25.7
12 (CH3) 16
13 (CH3) 28.2
14 (CH3) 14.9
15 (CH3) 15.4