Spektraris NMR
(6aS,11aS)-2-Hydroxyleiocarpin
Common Name: (6aS,11aS)-2-Hydroxyleiocarpin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O6/c1-21(2)4-3-10-18-12(5-14(22)20(10)27-21)19-13(8-23-18)11-6-16-17(25-9-24-16)7-15(11)26-19/h3-7,13,19,22H,8-9H2,1-2H3/t13-,19-/m1/s1
InChIKey: InChIKey=JEDDWGYBFZMEOV-BFUOFWGJSA-N
Formula: C21H18O6
Molecular Weight: 366.364817
Exact Mass: 366.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chin, Y.W., Mdee, L.K., Mbwambo, Z.H., Mi, Q., Chai, H.B., Cragg, G.M., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2006) 69, 1649-52
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 (CH) | 115.1 |
| 2 (C) | 139.5 |
| 3 (C) | 140.4 |
| 4 (C) | 110.3 |
| 4a (C) | 144.5 |
| 6 (CH2) | 66.7 |
| 6a (CH) | 40.5 |
| 6b (C) | 117.9 |
| 7 (CH) | 104.7 |
| 8 (C) | 141.7 |
| 9 (C) | 148.1 |
| 10 (CH) | 93.8 |
| 10a (C) | 154.3 |
| 11a (CH) | 78.8 |
| 11b (C) | 111.9 |
| 1' (CH) | 116.8 |
| 2' (CH) | 129.1 |
| 3' (C) | 77 |
| 4' (CH3) | 27.9 |
| 5' (CH3) | 27.8 |
| 8a (CH2) | 101.3 |
