Spektraris NMR
(2S)-2-(1,3-benzodioxol-5-yl)-8-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
![(2S)-2-(1,3-benzodioxol-5-yl)-8-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one](/nmr/static/nmr/svg/11675.svg)
Common Name: (2S)-2-(1,3-benzodioxol-5-yl)-8-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
Synonyms: (2S)-2-(1,3-benzodioxol-5-yl)-8-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
CAS Registry Number:
InChI: InChI=1S/C23H24O7/c1-12(2)15(24)8-14-19(26-3)10-21(27-4)22-16(25)9-18(30-23(14)22)13-5-6-17-20(7-13)29-11-28-17/h5-7,10,15,18,24H,1,8-9,11H2,2-4H3/t15-,18-/m0/s1
InChIKey: InChIKey=HEQLSVWMTJXPGS-YJBOKZPZSA-N
Formula: C23H24O7
Molecular Weight: 412.433338
Exact Mass: 412.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carcache-Blanco, E.J., Kang, Y.H., Park, E.J., Su, B.N., Kardono, L.B., Riswan, S., Fong, H.H., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1197-202
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 |
|---|---|
| 2 (CH) | 78.9 |
| 3 (CH2) | 45.8 |
| 4 (C) | 189.7 |
| 5 (C) | 163.8 |
| 6 (CH) | 88.6 |
| 7 (C) | 161.6 |
| 8 (C) | 106.1 |
| 9 (C) | 161.3 |
| 10 (C) | 107.2 |
| 1' (C) | 132.9 |
| 2' (CH) | 106.6 |
| 3' (C) | 148 |
| 4' (C) | 147.8 |
| 5' (CH) | 108.3 |
| 6' (CH) | 119.7 |
| 1'' (CH2) | 29.6 |
| 2'' (CH) | 75.6 |
| 3'' (C) | 147.6 |
| 4'' (CH2) | 110 |
| 5'' (CH3) | 18.2 |
| 5a (CH3) | 55.8 |
| 7a (CH3) | 56.1 |
| 3'a (CH2) | 101.3 |
