(2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,8aalpha)-2alpha-acetyldecahydro-5beta-hydroxy-8-methylene-4abeta-methylnaphthalene-1-yl ester

(2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,8aalpha)-2alpha-acetyldecahydro-5beta-hydroxy-8-methylene-4abeta-methylnaphthalene-1-yl ester

Common Name: (2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,8aalpha)-2alpha-acetyldecahydro-5beta-hydroxy-8-methylene-4abeta-methylnaphthalene-1-yl ester

Synonyms: (2E)-4-Hydroxy-4-methyl-2-pentenoic acid (1S,8aalpha)-2alpha-acetyldecahydro-5beta-hydroxy-8-methylene-4abeta-methylnaphthalene-1-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1

InChIKey: InChIKey=WZTNCEBBCFHTOP-NQKIYUNRSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garzon, S.P., Rodriguez, A.D., Sanchez, J.A., Ortega-Barria, E. J Nat Prod (2005) 68, 1354-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) 78.2
2 (CH2) 31.8
3 (CH2) 34.6
4 (C) 143.9
5 (CH) 46
6 (CH) 70
7 (CH) 48
8 (CH2) 21.7
9 (CH2) 30.6
10 (C) 41.8
11 (C) 209.5
12 (CH3) 31.9
14 (CH3) 10.9
15 (CH2) 107.6
6a (C) 166.7
6b (CH) 117.5
6c (CH) 155.6
6d (C) 70.8
6e (CH3) 29.2
6da (CH3) 29.2