Spektraris NMR
(2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one
![(2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one](/nmr/static/nmr/svg/11732.svg)
Common Name: (2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one
Synonyms: (2S)-5,7,8'-trihydroxy-2',2'-dimethyl-7',8-bis(3-methyl-2-butenyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one
CAS Registry Number:
InChI: InChI=1S/C30H34O6/c1-16(2)7-9-19-21(13-18-11-12-30(5,6)36-28(18)27(19)34)25-15-24(33)26-23(32)14-22(31)20(29(26)35-25)10-8-17(3)4/h7-8,11-14,25,31-32,34H,9-10,15H2,1-6H3/t25-/m0/s1
InChIKey: InChIKey=WHMJSNMIIPVCHC-VWLOTQADSA-N
Formula: C30H34O6
Molecular Weight: 490.588492
Exact Mass: 490.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Nambuddee, K., Kongsaeree, P. J Nat Prod (2004) 67, 968-72
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) | 76.2 |
| 3 (CH2) | 42.9 |
| 4 (C) | 197 |
| 5 (C) | 162.3 |
| 6 (CH) | 96.7 |
| 7 (C) | 163.7 |
| 8 (C) | 106.1 |
| 9 (C) | 160.1 |
| 10 (C) | 103 |
| 1' (C) | 129.2 |
| 2' (C) | 126.3 |
| 3' (C) | 142.4 |
| 4' (C) | 139.3 |
| 5' (C) | 118.9 |
| 6' (CH) | 115.2 |
| 1'' (CH2) | 24.7 |
| 2'' (CH) | 121.7 |
| 3'' (C) | 134.9 |
| 4'' (CH3) | 25.6 |
| 5'' (CH3) | 17.8 |
| 1''' (CH2) | 21.8 |
| 2''' (CH) | 122.3 |
| 3''' (C) | 132.3 |
| 4''' (CH3) | 25.8 |
| 5''' (CH3) | 17.9 |
| 1'''' (C) | 77.7 |
| 2'''' (CH) | 130.3 |
| 3'''' (CH) | 121.9 |
| 4'''' (CH3) | 28.2 |
| 5'''' (CH3) | 28.3 |
