(1R,7S,10R)-1-Hydroxy-7-isopropyl-10-methylbicyclo[4.4.0]deca-5-ene-4-one

(1R,7S,10R)-1-Hydroxy-7-isopropyl-10-methylbicyclo[4.4.0]deca-5-ene-4-one

Common Name: (1R,7S,10R)-1-Hydroxy-7-isopropyl-10-methylbicyclo[4.4.0]deca-5-ene-4-one

Synonyms: (1R,7S,10R)-1-Hydroxy-7-isopropyl-10-methylbicyclo[4.4.0]deca-5-ene-4-one

CAS Registry Number:

InChI: InChI=1S/C14H22O2/c1-9(2)12-5-4-10(3)14(16)7-6-11(15)8-13(12)14/h8-10,12,16H,4-7H2,1-3H3/t10-,12+,14-/m1/s1

InChIKey: InChIKey=QSCUHKDLNLVMNB-SCDSUCTJSA-N

Formula: C14H22O2

Molecular Weight: 222.323809

Exact Mass: 222.16198

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Song, F., Xu, X., Li, S., Wang, S., Zhao, J., Cao, P., Yang, Y., Fan, X., Shi, J., He, L., Lu, Y. J Nat Prod (2005) 68, 1309-13

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) 72.2
2 (CH2) 34.3
3 (CH2) 34.6
4 (C) 198.2
5 (CH) 122
6 (C) 171.2
7 (CH) 46
8 (CH2) 30.6
9 (CH2) 30.4
10 (CH) 42
11 (CH) 27.5
12 (CH3) 22.1
13 (CH3) 19.1
15 (CH3) 15.1