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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h11,13-14,17H,6-10,12H2,1-5H3,(H,22,23)/t13?,14-,17-,19+,20+/m1/s1

InChIKey: InChIKey=RNWHJFUXZQBBLK-JNSXJZLISA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CD3OD

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) 35.8
2 (C) 203.1
3 (CH) 125.8
4 (C) 176.4
5 (C) 41.3
6 (CH2) 36.7
7 (CH2) 28
8 (CH) 37.2
9 (C) 39.7
10 (CH) 47.2
11 (CH2) 36
12 (CH2) 30.1
13 (CH) 32.2
14 (CH2) 42.6
15 (C) 176.8
16 (CH3) 20.2
17 (CH3) 16.1
18 (CH3) 19.1
19 (CH3) 18.6
20 (CH3) 18.4