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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H26O7/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/h5,7,10-11,14-17,19H,4,6,8-9H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1

InChIKey: InChIKey=AQCNMBKWURYSKU-XNRHGJAWSA-N

Formula: C22H26O7

Molecular Weight: 402.438484

Exact Mass: 402.167853

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) 202.2
2 (CH) 75.2
3 (CH2) 28.3
4 (CH) 59.7
5 (C) 42.5
6 (CH2) 38
7 (CH2) 17.9
8 (CH) 51.2
9 (C) 35.4
10 (CH) 63.6
11 (CH2) 43.2
12 (CH) 72
13 (C) 125.1
14 (CH) 108.3
15 (CH) 143.8
16 (CH) 139.4
17 (C) 170.9
18 (CH) 200.6
19 (CH3) 17.9
20 (CH3) 15.1
2a (C) 170
2b (CH3) 20.6