(2S,4S,4aS,8aR)-3,4,4abeta,5,6,8abeta-Hexahydro-2-(2-methyl-1-propenyl)-4,7-dimethyl-2H-1-benzopyran

(2S,4S,4aS,8aR)-3,4,4abeta,5,6,8abeta-Hexahydro-2-(2-methyl-1-propenyl)-4,7-dimethyl-2H-1-benzopyran

Common Name: (2S,4S,4aS,8aR)-3,4,4abeta,5,6,8abeta-Hexahydro-2-(2-methyl-1-propenyl)-4,7-dimethyl-2H-1-benzopyran

Synonyms: (2S,4S,4aS,8aR)-3,4,4abeta,5,6,8abeta-Hexahydro-2-(2-methyl-1-propenyl)-4,7-dimethyl-2H-1-benzopyran

CAS Registry Number:

InChI: InChI=1S/C15H24O/c1-10(2)7-13-9-12(4)14-6-5-11(3)8-15(14)16-13/h7-8,12-15H,5-6,9H2,1-4H3/t12-,13+,14-,15-/m0/s1

InChIKey: InChIKey=SUZWJCBHQIOYCF-XGUBFFRZSA-N

Formula: C15H24O1

Molecular Weight: 220.351021

Exact Mass: 220.182715

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Warmers, U., Rieck, A., Konig, W.A., Muhle, H. Phytochemistry (1999) 51, 679-82

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 (CH2) 16.52
2 (CH2) 31.62
3 (C) 140.93
4 (CH) 121.99
5 (CH) 73.86
6 (CH) 38.73
7 (CH) 33.44
8 (CH2) 36.1
9 (CH) 75.34
10 (CH) 127.03
11 (C) 135.04
12 (CH3) 26.07
13 (CH3) 18.76
14 (CH3) 19.35
15 (CH3) 23.95