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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H36O3/c1-14(13-17(21)22)8-11-18(3)15(2)9-12-19(4)16(18)7-6-10-20(19,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14?,15-,16-,18+,19-,20-/m1/s1

InChIKey: InChIKey=DOBDLNYZSBEFBD-BFMSKTEZSA-N

Formula: C20H36O3

Molecular Weight: 324.4988

Exact Mass: 324.266445

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) 24.3
2 (CH2) 22.3
3 (CH2) 37.8
4 (C) 76.8
5 (C) 43.3
6 (CH2) 33.2
7 (CH2) 28.4
8 (CH) 37.9
9 (C) 39.8
10 (CH) 44.3
11 (CH2) 36.7
12 (CH2) 30.5
13 (CH) 32.2
14 (CH2) 42.6
15 (C) 177
16 (CH3) 20.2
17 (CH3) 16.4
18 (CH3) 23.4
19 (CH3) 15.4
20 (CH3) 18.8