3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5-methylene-6beta-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid

3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5-methylene-6beta-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid

Common Name: 3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5-methylene-6beta-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid

Synonyms: 3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5-methylene-6beta-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-13(12-18(22)23)8-10-19(4)14(2)9-11-20(5)15(3)16(21)6-7-17(19)20/h13-14,16-17,21H,3,6-12H2,1-2,4-5H3,(H,22,23)/t13?,14-,16+,17-,19+,20+/m1/s1

InChIKey: InChIKey=NYQNQWSIOPKYIW-CJBNWJPUSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

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) 20.7
2 (CH2) 37.4
3 (CH) 70
4 (C) 162.4
5 (C) 40.5
6 (CH2) 37.4
7 (CH2) 27.5
8 (CH) 36.8
9 (C) 39.4
10 (CH) 48.6
11 (CH2) 35.5
12 (CH2) 29.5
13 (CH) 31
14 (CH2) 41.6
15 (C) 178.6
16 (CH3) 20
17 (CH3) 16
18 (CH2) 99.5
19 (CH3) 21.5
20 (CH3) 18.3