(Z)-2-Methyl-2-butenoic acid (1beta)-2alpha-[1,5-dimethyl-3-acetoxy-4-hexenyl]-4beta-acetoxy-5-methyl-5-cyclohexenyl ester

(Z)-2-Methyl-2-butenoic acid (1beta)-2alpha-[1,5-dimethyl-3-acetoxy-4-hexenyl]-4beta-acetoxy-5-methyl-5-cyclohexenyl ester

Common Name: (Z)-2-Methyl-2-butenoic acid (1beta)-2alpha-[1,5-dimethyl-3-acetoxy-4-hexenyl]-4beta-acetoxy-5-methyl-5-cyclohexenyl ester

Synonyms: (Z)-2-Methyl-2-butenoic acid (1beta)-2alpha-[1,5-dimethyl-3-acetoxy-4-hexenyl]-4beta-acetoxy-5-methyl-5-cyclohexenyl ester

CAS Registry Number:

InChI: InChI=1S/C24H36O6/c1-9-15(4)24(27)30-23-12-17(6)22(29-19(8)26)13-21(23)16(5)11-20(10-14(2)3)28-18(7)25/h9-10,12,16,20-23H,11,13H2,1-8H3/b15-9-/t16?,20?,21-,22+,23+/m0/s1

InChIKey: InChIKey=PKZDHQQHMWMSHL-BHXGTRHWSA-N

Formula: C24H36O6

Molecular Weight: 420.539958

Exact Mass: 420.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, M.J., Jayaprakasam, B., Ishikawa, T., Seki, H., Tsai, I.L., Wang, J.J., Chen, I.S. Helv Chim Acta (2002) 85, 1909-14

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) 70.4
2 (CH) 128.5
3 (C) 134.7
4 (CH) 69
5 (CH2) 26
6 (CH) 36.5
7 (CH) 27.3
8 (CH2) 39.4
9 (CH) 68.9
10 (CH) 123.6
11 (C) 137.9
12 (CH3) 18.2
13 (CH3) 25.3
14 (CH3) 14.7
15 (CH3) 20.4
1a (C) 167.9
1b (C) 128.1
1c (CH) 138.3
1d (CH3) 15.5
1e (CH3) 20.3
4a (C) 171.3
4b (CH3) 20.7
9a (C) 170.4
9b (CH3) 20.7