rel-(1S,4R,5S,6R)-4,5-diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-enyl (Z)-2-methylbut-2-enoate

rel-(1S,4R,5S,6R)-4,5-diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-enyl (Z)-2-methylbut-2-enoate

Common Name: rel-(1S,4R,5S,6R)-4,5-diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-enyl (Z)-2-methylbut-2-enoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O7/c1-9-14(2)23(27)31-19-13-16(4)21(29-17(5)25)22(30-18(6)26)20(19)15(3)11-10-12-24(7,8)28/h9-10,12-13,15,19-22,28H,11H2,1-8H3/b12-10+,14-9-/t15-,19+,20-,21-,22+/m1/s1

InChIKey: InChIKey=JFDZYIQQSHIQHS-BVJJODHASA-N

Formula: C24H36O7

Molecular Weight: 436.539363

Exact Mass: 436.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, J.X., Lin, C.J., Yang, X.P., Jia, Z.J. Chem Biodiversity (2006) 3, 783-90

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 (CH) 68.6
2 (CH) 127.3
3 (C) 132.9
4 (CH) 69.3
5 (CH) 69.9
6 (CH) 39.7
7 (CH) 31.4
8 (CH2) 38.1
9 (CH) 125.3
10 (CH) 139.9
11 (C) 70.3
12 (CH3) 29.6
13 (CH3) 29.6
14 (CH3) 15.7
15 (CH3) 20
1a (C) 167.3
1b (C) 127.3
1c (CH) 138.9
1d (CH3) 20.5
1e (CH3) 12.8
4a (C) 169.9
4b (CH3) 20.8
5a (C) 170.7
5b (CH3) 20.7