(2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,2R,3R,6R)-6-acetyl-3-ethenyl-2-isopropenyl-3-methylcyclohexyl ester

(2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,2R,3R,6R)-6-acetyl-3-ethenyl-2-isopropenyl-3-methylcyclohexyl ester

Common Name: (2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,2R,3R,6R)-6-acetyl-3-ethenyl-2-isopropenyl-3-methylcyclohexyl ester

Synonyms: (2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,2R,3R,6R)-6-acetyl-3-ethenyl-2-isopropenyl-3-methylcyclohexyl ester

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-8-20(7)12-9-15(14(4)21)18(17(20)13(2)3)24-16(22)10-11-19(5,6)23/h8,10-11,15,17-18,23H,1-2,9,12H2,3-7H3/b11-10+/t15-,17-,18+,20-/m0/s1

InChIKey: InChIKey=PQQBWZPCMSAPQA-ILSIZQTJSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garzon, S.P., Rodriguez, A.D., Sanchez, J.A., Ortega-Barria, E. J Nat Prod (2005) 68, 1354-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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 (CH) 148.4
2 (CH2) 110.6
3 (CH2) 113.4
4 (C) 142.7
5 (CH) 50.9
6 (CH) 72.2
7 (CH) 48.4
8 (CH2) 21.9
9 (CH2) 33.5
10 (C) 40.9
11 (C) 209.3
12 (CH3) 31.6
14 (CH3) 18.5
15 (CH3) 25.2
6a (C) 166.4
6b (CH) 117.6
6c (CH) 155.3
6d (C) 70.9
6e (CH3) 29.2
6da (CH3) 29.2