2-[[(1S,4aalpha)-2-Methylene-5,5,8abeta-trimethyldecahydronaphthalene-1beta-yl]methyl]-5-hydroxy-2,5-dihydrofuran-3-carboxylic acid

2-[[(1S,4aalpha)-2-Methylene-5,5,8abeta-trimethyldecahydronaphthalene-1beta-yl]methyl]-5-hydroxy-2,5-dihydrofuran-3-carboxylic acid

Common Name: 2-[[(1S,4aalpha)-2-Methylene-5,5,8abeta-trimethyldecahydronaphthalene-1beta-yl]methyl]-5-hydroxy-2,5-dihydrofuran-3-carboxylic acid

Synonyms: 2-[[(1S,4aalpha)-2-Methylene-5,5,8abeta-trimethyldecahydronaphthalene-1beta-yl]methyl]-5-hydroxy-2,5-dihydrofuran-3-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15-13(18(22)23)10-17(21)24-15/h10,14-17,21H,1,5-9,11H2,2-4H3,(H,22,23)/t14-,15?,16-,17?,20+/m0/s1

InChIKey: InChIKey=WMUHHECWRXDARQ-GISXUQSNSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, S.W., Zhou, B.N., Malone, S., Werkhoven, M.C., van Troon, F., Wisse, J.H., Kingston, D.G. J Nat Prod (1999) 62, 1173-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.3
2 (CH2) 19.3
3 (CH2) 42
4 (C) 33.6
5 (CH) 55.5
6 (CH2) 24.3
7 (CH2) 39
8 (C) 148.1
9 (CH) 51.8
10 (C) 38.2
11 (CH2) 30.1
12 (CH) 65.5
13 (C) 143
14 (CH) 142.8
15 (CH) 97
16 (C) 170.1
17 (CH2) 107.2
18 (CH3) 33.6
19 (CH3) 21.7
20 (CH3) 14.6