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

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

CAS Registry Number:

InChI: InChI=1S/C20H36O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h13-16,21,24H,6-12H2,1-5H3,(H,22,23)/t13?,14-,15-,16-,18+,19-,20-/m1/s1

InChIKey: InChIKey=HXWFNTAOIMPSJN-KDAJAUJNSA-N

Formula: C20H36O4

Molecular Weight: 340.498205

Exact Mass: 340.26136

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) 20.2
2 (CH2) 31.1
3 (CH) 77
4 (C) 77.4
5 (C) 42.6
6 (CH2) 33.6
7 (CH2) 27.9
8 (CH) 37.1
9 (C) 39.7
10 (CH) 41.8
11 (CH2) 37.1
12 (CH2) 30.7
13 (CH) 32.3
14 (CH2) 42.8
15 (C) 177.2
16 (CH3) 20
17 (CH3) 16.2
18 (CH3) 21.2
19 (CH3) 17.8
20 (CH3) 18.8