Angelic acid [(3S)-2,7-dioxo-3,5abeta,9-trimethyl-6alpha-hydroxy-2,3,3abeta,4,5,5a,6,7,9aalpha,9bbeta-decahydronaphtho[1,2-b]furan]-3beta-yl ester

Angelic acid [(3S)-2,7-dioxo-3,5abeta,9-trimethyl-6alpha-hydroxy-2,3,3abeta,4,5,5a,6,7,9aalpha,9bbeta-decahydronaphtho[1,2-b]furan]-3beta-yl ester

Common Name: Angelic acid [(3S)-2,7-dioxo-3,5abeta,9-trimethyl-6alpha-hydroxy-2,3,3abeta,4,5,5a,6,7,9aalpha,9bbeta-decahydronaphtho[1,2-b]furan]-3beta-yl ester

Synonyms: Angelic acid [(3S)-2,7-dioxo-3,5abeta,9-trimethyl-6alpha-hydroxy-2,3,3abeta,4,5,5a,6,7,9aalpha,9bbeta-decahydronaphtho[1,2-b]furan]-3beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-6-10(2)17(23)26-20(5)12-7-8-19(4)14(15(12)25-18(20)24)11(3)9-13(21)16(19)22/h6,9,12,14-16,22H,7-8H2,1-5H3/b10-6-/t12-,14+,15-,16-,19+,20+/m1/s1

InChIKey: InChIKey=ANEOWDWLJGVECN-DMKCIIKBSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

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) 78.1
2 (C) 196.8
3 (CH) 125.2
4 (C) 162
5 (CH) 48.8
6 (CH) 76.6
7 (CH) 40.3
8 (CH2) 20.5
9 (CH2) 30
10 (C) 39.7
11 (C) 79.6
12 (C) 174.1
13 (CH3) 20.3
14 (CH3) 18.2
15 (CH3) 23.7
1' (C) 166.5
2' (C) 126.9
3' (CH) 140.5
4' (CH3) 15.9
5' (CH3) 18.5