Spektraris NMR
(2S,4aR,6aS,7R,9S,10aS,10bR)-7-Formyl-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl acetate
![(2S,4aR,6aS,7R,9S,10aS,10bR)-7-Formyl-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl acetate](/nmr/static/nmr/svg/15364.svg)
Common Name: (2S,4aR,6aS,7R,9S,10aS,10bR)-7-Formyl-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-benzo[f]isochromen-9-yl acetate
Synonyms:
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-UGVVDJMRSA-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) | 202.6 |
| 2 (CH) | 75.5 |
| 3 (CH2) | 28.1 |
| 4 (CH) | 59.1 |
| 5 (C) | 42.6 |
| 6 (CH2) | 33.8 |
| 7 (CH2) | 17.4 |
| 8 (CH) | 45.1 |
| 9 (C) | 34.6 |
| 10 (CH) | 63.5 |
| 11 (CH2) | 47.9 |
| 12 (CH) | 70.1 |
| 13 (C) | 123.2 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.6 |
| 16 (CH) | 139.7 |
| 17 (C) | 173.5 |
| 18 (CH) | 200.9 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 24.4 |
| 2a (C) | 169.8 |
| 2b (CH3) | 20.6 |
