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/C24H34O6/c1-9-15(4)24(27)30-20-13-17(6)22(28-18(7)25)23(29-19(8)26)21(20)16(5)12-10-11-14(2)3/h9-11,13,16,20-23H,2,12H2,1,3-8H3/b11-10+,15-9-/t16-,20+,21-,22-,23+/m1/s1

InChIKey: InChIKey=XCZBNYPBEODIIG-KCJLSGGNSA-N

Formula: C24H34O6

Molecular Weight: 418.524077

Exact Mass: 418.235539

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) 68.9
2 (CH) 127.5
3 (C) 133.1
4 (CH) 69.6
5 (CH) 70.2
6 (CH) 39.1
7 (CH) 31.8
8 (CH2) 39.2
9 (CH) 129.1
10 (CH) 134.7
11 (C) 141.9
12 (CH2) 114.6
13 (CH3) 18.6
14 (CH3) 15.2
15 (CH3) 20.1
1a (C) 167.5
1b (C) 127.5
1c (CH) 138.9
1d (CH3) 20.5
1e (CH3) 15.8
4a (C) 169.8
4b (CH3) 20.8
5a (C) 170.8
5b (CH3) 20.9