Spektraris NMR
Hanultarin
Common Name: Hanultarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O9/c1-36-27-14-19(4-8-24(27)32)7-11-30(35)39-18-23(13-21-6-10-26(34)29(16-21)38-3)22(17-31)12-20-5-9-25(33)28(15-20)37-2/h4-11,14-16,22-23,31-34H,12-13,17-18H2,1-3H3/b11-7+/t22-,23-/m0/s1
InChIKey: InChIKey=YXLRFCDMMBITIW-ZDRWSHPDSA-N
Formula: C30H34O9
Molecular Weight: 538.586707
Exact Mass: 538.220283
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Moon, S.S., Rahman, A.A., Kim, J.Y., Kee, S.H. Bioorg Med Chem (2008) 16, 7264-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 133.1 |
| 2 (CH) | 113.2 |
| 3 (C) | 148.76 |
| 4 (C) | 145.5 |
| 5 (CH) | 115.82 |
| 6 (CH) | 122.6 |
| 7 (CH2) | 36.1 |
| 8 (CH) | 40.8 |
| 9 (CH2) | 66.1 |
| 1' (C) | 133.6 |
| 2' (CH) | 113.4 |
| 3' (C) | 148.75 |
| 4' (C) | 145.6 |
| 5' (CH) | 115.87 |
| 6' (CH) | 122.7 |
| 7' (CH2) | 35.5 |
| 8' (CH) | 44.7 |
| 9' (CH2) | 62.8 |
| 3a (CH3) | 56.3 |
| 9a (C) | 169.1 |
| 9b (CH) | 115.5 |
| 9c (CH) | 146.7 |
| 9d (C) | 127.6 |
| 9e (CH) | 111.6 |
| 9f (C) | 150.5 |
| 9g (C) | 149.2 |
| 9h (CH) | 116.4 |
| 9i (CH) | 124.1 |
| 9fa (CH3) | 56.3 |
| 3'a (CH3) | 56.5 |
