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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-6-11(2)16(22)26-20(5)12-7-9-18(3)13(21)8-10-19(4,24)15(18)14(12)25-17(20)23/h6,8,10,12,14-15,24H,7,9H2,1-5H3/b11-6-/t12-,14-,15+,18-,19-,20+/m1/s1

InChIKey: InChIKey=RQPDOHFQRIVDLC-HYJWBNTLSA-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 (C) 201.3
2 (CH) 125.2
3 (CH) 152.5
4 (C) 70.4
5 (CH) 51.4
6 (CH) 76.5
7 (CH) 43.6
8 (CH2) 20.4
9 (CH2) 30.5
10 (C) 48
11 (C) 78.7
12 (C) 173.5
13 (CH3) 20.2
14 (CH3) 24.1
15 (CH3) 19.9
1' (C) 166.4
2' (C) 126.6
3' (CH) 141.9
4' (CH3) 15.9
5' (CH3) 18.2