Spektraris NMR
(2S,7aR,13aS)-5,10,12,13a-tetramethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one
![(2S,7aR,13aS)-5,10,12,13a-tetramethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one](/nmr/static/nmr/svg/729.svg)
Common Name: (2S,7aR,13aS)-5,10,12,13a-tetramethoxy-2,7a-bis(4-methoxyphenyl)-3,4,7a,13a-tetrahydro-2H,13H-furo[2,3-b:5,4-h']dichromen-13-one
Synonyms: 2H,13H-Furo[2,3-b:5,4-h']bis[1]benzopyran-13-one, 3,4,7a,13a-tetrahydro-5,10,12,13a-tetramethoxy-2,7a-bis(4-methoxyphenyl)-, [2S-(2α,7aβ,13aα)]- (9CI)
CAS Registry Number: 163360-66-5
InChI:
InChIKey:
Formula: C36H34O10
Molecular Weight: 626.658
Exact Mass: 626.2152
NMR Solvent: CDCl3
MHz: 300 (1H), 75 (1H)
Calibration: TMS
NMR references: Baba, K., Yoshikawa, M., Taniguchi, M., Kozawa, M. (1995). Biflavonoids from Daphne odora. Phytochemistry 38, 1021-1026.
Species: synthesis - Baba, K., Yoshikawa, M., Taniguchi, M., Kozawa, M. (1995). Biflavonoids from Daphne odora. Phytochemistry 38, 1021-1026.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.13 | dd | 7.7, 2.2 |
| 3 | 2.19 | m | |
| 3 | 1.89 | m | |
| 4 | 2.59 | m | |
| 4 | 2.44 | m | |
| 6 | 6.34 | s | |
| 2', 6' | 7.14 | d | 8.8 |
| 3', 5' | 6.81 | d | 8.8 |
| 6" | 6.01 | d | 2.2 |
| 8" | 6.03 | d | 2.2 |
| 2''', 6''' | 7.51 | d | 8.8 |
| 3''', 5''' | 6.88 | d | 8.8 |
| OH | 3.82 | s | |
| OCH3 | 3.8 | s | |
| OCH3 | 3.75 | s | |
| OCH3 | 3.65 | s | |
| OCH3 | 3.26 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 76.6 |
| 3 | 28.9 |
| 4 | 18.3 |
| 5 (may be interchanged with 7, 4''') | 160.9 |
| 6 | 88 |
| 7 (may be interchanged with 5, 4''') | 161.1 |
| 8 | 104.8 |
| 9 | 154 |
| 10 | 105.1 |
| 1' | 133.9 |
| 2', 6' | 126.9 |
| 3', 5' (may be interchanged with 3''', 5''') | 113.8 |
| 4' | 159.1 |
| 2" | 117.8 |
| 3" | 87.5 |
| 4" | 188.2 |
| 5" | 161.9 |
| 6" (may be interchanged with 8") | 93.3 |
| 7" | 165.8 |
| 8" (may be interchanged with 6") | 93.8 |
| 9" | 163 |
| 10" | 104.5 |
| 1''' | 127.8 |
| 2''', 6''' | 128.6 |
| 3''', 5''' (may be interchanged with 3', 5') | 114 |
| 4''' (may be interchanged with 5, 7) | 161.1 |
| OCH3 | 56.2 |
| OCH3 | 56 |
| OCH3 | 55.8 |
| OCH3 | 55.5 |
