Spektraris NMR
Rel-(1b,2a)-di-(2,4-dihydroxy-6-methoxybenzoyl)-(3b,4a)-di-(4-methoxyphenyl)-cyclobutane
Common Name: Rel-(1b,2a)-di-(2,4-dihydroxy-6-methoxybenzoyl)-(3b,4a)-di-(4-methoxyphenyl)-cyclobutane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)23-24(14-3-7-16(32)8-4-14)28(30(40)26-21(37)11-18(34)12-22(26)38)27(23)29(39)25-19(35)9-17(33)10-20(25)36/h1-12,23-24,27-28,31-38H/t23-,24-,27+,28+/m1/s1
InChIKey: InChIKey=FNDCFJFHIXOSTJ-ZBVBGGFBSA-N
Formula: C30H24O10
Molecular Weight: 544.506704
Exact Mass: 544.136947
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seidel, V., Bailleul, F., Waterman, P.G. Phytochemistry (2000) 55, 439-46
Species:
Notes: Family : Miscellanea; 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) | 55.4 |
| 2 (CH) | 55.4 |
| 3 (CH) | 45.3 |
| 4 (CH) | 45.3 |
| 1a (C) | 204.1 |
| 1b (C) | 105.6 |
| 1c (C) | 164.1 |
| 1d (CH) | 97.7 |
| 1e (C) | 167.1 |
| 1f (CH) | 92.5 |
| 1g (C) | 168.6 |
| 2a (C) | 204.1 |
| 2b (C) | 105.6 |
| 2c (C) | 164.1 |
| 2d (CH) | 97.7 |
| 2e (C) | 167.1 |
| 2f (CH) | 92.5 |
| 2g (C) | 168.6 |
| 3a (C) | 134.3 |
| 3b (CH) | 130.1 |
| 3c (CH) | 114.3 |
| 3d (C) | 158.7 |
| 3e (CH) | 114.3 |
| 3f (CH) | 130.1 |
| 4a (C) | 134.3 |
| 4b (CH) | 130.1 |
| 4c (CH) | 114.3 |
| 4d (C) | 158.7 |
| 4e (CH) | 114.3 |
| 4f (CH) | 130.1 |
