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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-14(11-19(22)23)7-9-20(4)15(2)8-10-21(5)16(3)12-17(24-6)13-18(20)21/h12,14-15,17-18H,7-11,13H2,1-6H3,(H,22,23)/t14?,15-,17+,18-,20+,21+/m1/s1

InChIKey: InChIKey=CGVBOYIYAFIARZ-LFWIUXNKSA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

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) 23.1
2 (CH) 74.6
3 (CH) 120.1
4 (C) 150
5 (C) 38.8
6 (CH2) 36.2
7 (CH2) 27.5
8 (CH) 36.1
9 (C) 38.4
10 (CH) 41.3
11 (CH2) 35.7
12 (CH2) 29.1
13 (CH) 31.2
14 (CH2) 41.3
15 (C) 178.1
16 (CH3) 20
17 (CH3) 15.8
18 (CH3) 17.9
19 (CH3) 18.3
20 (CH3) 18.6
2a (CH3) 56.2