(2S)-2beta-(3-Furyl)-4,9-dioxo-6aalpha,10balpha-dimethyl-10-hydroxy-1,4,4aalpha,5,6,6a,9,10b-octahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester

(2S)-2beta-(3-Furyl)-4,9-dioxo-6aalpha,10balpha-dimethyl-10-hydroxy-1,4,4aalpha,5,6,6a,9,10b-octahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester

Common Name: (2S)-2beta-(3-Furyl)-4,9-dioxo-6aalpha,10balpha-dimethyl-10-hydroxy-1,4,4aalpha,5,6,6a,9,10b-octahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester

Synonyms: (2S)-2beta-(3-Furyl)-4,9-dioxo-6aalpha,10balpha-dimethyl-10-hydroxy-1,4,4aalpha,5,6,6a,9,10b-octahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H22O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7-8,10,12,15,23H,4,6,9H2,1-3H3/t12-,15+,20+,21+/m1/s1

InChIKey: InChIKey=OPLXQVGNZSCNEK-ICPULLGDSA-N

Formula: C21H22O7

Molecular Weight: 386.395985

Exact Mass: 386.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ma, Z., Lee, D.Y.W. Tetrahedron Lett (2008) 49, 1782-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 145.1
2 (C) 180.7
3 (CH) 128.2
4 (C) 157.5
5 (C) 42.3
6 (CH2) 28.3
7 (CH2) 21.9
8 (CH) 44.8
9 (C) 37.6
10 (C) 140
11 (CH2) 36.8
12 (CH) 70.8
13 (C) 124.4
14 (CH) 108.4
15 (CH) 143.7
16 (CH) 139.6
17 (C) 173.2
18 (C) 165.4
19 (CH3) 30.3
20 (CH3) 24.4
18a (CH3) 52.6