(E)-2-(Hydroxymethyl)-4-hydroxy-2-butenoic acid [(3aR)-2,3,3a,4,5,5a,6,7,9abeta,9balpha-decahydro-2-oxo-3-methylene-5aalpha,9-dimethyl-6alpha-hydroxynaphtho[1,2-b]furan]-4alpha-yl ester

(E)-2-(Hydroxymethyl)-4-hydroxy-2-butenoic acid [(3aR)-2,3,3a,4,5,5a,6,7,9abeta,9balpha-decahydro-2-oxo-3-methylene-5aalpha,9-dimethyl-6alpha-hydroxynaphtho[1,2-b]furan]-4alpha-yl ester

Common Name: (E)-2-(Hydroxymethyl)-4-hydroxy-2-butenoic acid [(3aR)-2,3,3a,4,5,5a,6,7,9abeta,9balpha-decahydro-2-oxo-3-methylene-5aalpha,9-dimethyl-6alpha-hydroxynaphtho[1,2-b]furan]-4alpha-yl ester

Synonyms: (E)-2-(Hydroxymethyl)-4-hydroxy-2-butenoic acid [(3aR)-2,3,3a,4,5,5a,6,7,9abeta,9balpha-decahydro-2-oxo-3-methylene-5aalpha,9-dimethyl-6alpha-hydroxynaphtho[1,2-b]furan]-4alpha-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H26O7/c1-10-4-5-14(23)20(3)8-13(26-19(25)12(9-22)6-7-21)15-11(2)18(24)27-17(15)16(10)20/h4,6,13-17,21-23H,2,5,7-9H2,1,3H3/b12-6+/t13-,14-,15-,16-,17+,20+/m1/s1

InChIKey: InChIKey=GWJXGILYDSNHLU-WJVSDBCXSA-N

Formula: C20H26O7

Molecular Weight: 378.417012

Exact Mass: 378.167853

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Hernandez, Z.N.J., Catalan, C.A.N., Hernandez, L.R., Guerra-Ramirez, D., Joseph-Nathan, P. Phytochemistry (1999) 51, 79-82

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) 76
2 (CH2) 33
3 (CH) 121.5
4 (C) 133.1
5 (CH) 51.4
6 (CH) 77.5
7 (CH) 53.4
8 (CH) 67
9 (CH2) 39.3
10 (C) 40.6
11 (C) 134.1
12 (C) 169.6
13 (CH2) 119.3
14 (CH3) 13
15 (CH3) 23.3
8a (C) 166.1
8b (C) 131.9
8c (CH) 143.8
8d (CH2) 59.3
8ba (CH2) 57.5