3-Methyl-5-[(1S)-1,2alpha,4aalpha,5-tetramethyl-7beta-acetoxy-1,2,3,4,4a,7,8,8abeta-octahydronaphthalene-1beta-yl]pentanoic acid

3-Methyl-5-[(1S)-1,2alpha,4aalpha,5-tetramethyl-7beta-acetoxy-1,2,3,4,4a,7,8,8abeta-octahydronaphthalene-1beta-yl]pentanoic acid

Common Name: 3-Methyl-5-[(1S)-1,2alpha,4aalpha,5-tetramethyl-7beta-acetoxy-1,2,3,4,4a,7,8,8abeta-octahydronaphthalene-1beta-yl]pentanoic acid

Synonyms: 3-Methyl-5-[(1S)-1,2alpha,4aalpha,5-tetramethyl-7beta-acetoxy-1,2,3,4,4a,7,8,8abeta-octahydronaphthalene-1beta-yl]pentanoic acid

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-14(11-20(24)25)7-9-21(5)15(2)8-10-22(6)16(3)12-18(13-19(21)22)26-17(4)23/h12,14-15,18-19H,7-11,13H2,1-6H3,(H,24,25)/t14?,15-,18-,19-,21+,22+/m1/s1

InChIKey: InChIKey=FPDCHHKVQLVTGK-DWLNCZJVSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) 22.1
2 (CH) 74.5
3 (CH) 120.1
4 (C) 149.9
5 (C) 38.9
6 (CH2) 36.9
7 (CH2) 27.4
8 (CH) 36.5
9 (C) 38.4
10 (CH) 41.3
11 (CH2) 36.2
12 (CH2) 29.3
13 (CH) 30.8
14 (CH2) 41.4
15 (C) 178.1
16 (CH3) 19.8
17 (CH3) 15.9
18 (CH3) 17.9
19 (CH3) 18.2
20 (CH3) 18.5
2a (C) 171.2
2b (CH3) 21.7