Angelic acid [(3S,3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-hydroxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

Angelic acid [(3S,3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-hydroxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

Common Name: Angelic acid [(3S,3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-hydroxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

Synonyms: Angelic acid [(3S,3abeta,9abeta,9bbeta)-2-oxo-3,5aalpha-dimethyl-6alpha-hydroxy-9-methylenedodecahydronaphtho[1,2-b]furan]-3beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H28O5/c1-6-11(2)17(22)25-20(5)13-9-10-19(4)14(21)8-7-12(3)15(19)16(13)24-18(20)23/h6,13-16,21H,3,7-10H2,1-2,4-5H3/b11-6-/t13-,14-,15-,16-,19+,20+/m1/s1

InChIKey: InChIKey=HMGKKEXJEBSEFK-LOPKJHGTSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Massanet, G.M., Guerra, F.M., Jorge, Z.D., Astorga, C. Phytochemistry (1997) 45, 1645-51

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) 79.1
2 (CH2) 31.3
3 (CH2) 34.2
4 (C) 143.6
5 (CH) 48.9
6 (CH) 77.2
7 (CH) 49
8 (CH2) 20.5
9 (CH2) 34.6
10 (C) 43.7
11 (C) 82.7
12 (C) 173.8
13 (CH3) 20.4
14 (CH3) 11.7
15 (CH2) 110.9
1' (C) 166.4
2' (C) 127.6
3' (CH) 139.7
4' (CH3) 15.3
5' (CH3) 18.6