(2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate

(2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate

Common Name: (2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate

Synonyms: (2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate

CAS Registry Number:

InChI: InChI=1S/C22H28O7/c1-12(24)28-16-8-14(10-23)21(2)6-4-15-20(26)29-17(13-5-7-27-11-13)9-22(15,3)19(21)18(16)25/h5,7,11,14-17,19,23H,4,6,8-10H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1

InChIKey: InChIKey=VGXFIZVZRKZEGJ-XNRHGJAWSA-N

Formula: C22H28O7

Molecular Weight: 404.454365

Exact Mass: 404.183503

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) 203.7
2 (CH) 75.9
3 (CH2) 31.8
4 (CH) 50.7
5 (C) 41.9
6 (CH2) 38
7 (CH2) 18.1
8 (CH) 51.4
9 (C) 35.2
10 (CH) 64.4
11 (CH2) 43.3
12 (CH) 72.1
13 (C) 125.2
14 (CH) 108.4
15 (CH) 143.7
16 (CH) 139.4
17 (C) 171.4
18 (CH2) 61.6
19 (CH3) 16.6
20 (CH3) 15.3
2a (C) 170.1
2b (CH3) 20.6