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

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

CAS Registry Number:

InChI: InChI=1S/C20H36O4/c1-14(12-17(22)23)7-10-18(3)15(2)8-11-19(4)16(18)6-5-9-20(19,24)13-21/h14-16,21,24H,5-13H2,1-4H3,(H,22,23)/t14?,15-,16-,18+,19-,20+/m1/s1

InChIKey: InChIKey=LVKUKTFPMNKMIN-RTCOZFHTSA-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) 26.4
2 (CH2) 21.1
3 (CH2) 33
4 (C) 87.1
5 (C) 40.2
6 (CH2) 31.8
7 (CH2) 27.2
8 (CH) 36.3
9 (C) 38.8
10 (CH) 41.4
11 (CH2) 35.8
12 (CH2) 29.3
13 (CH) 30.9
14 (CH2) 41.4
15 (C) 178.1
16 (CH3) 19.8
17 (CH3) 16
18 (CH2) 70.1
19 (CH3) 24.4
20 (CH3) 18.4