Spektraris NMR
Secalonic acid D
Common Name: Secalonic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m0/s1
InChIKey: InChIKey=DRYDKQOPVBDZMQ-OCHURCMPSA-N
Formula: C32H30O14
Molecular Weight: 638.57344
Exact Mass: 638.163556
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ren, H., Tian, L., Gu, Q., Zhu, W. Arch Pharm Res (2006) 29, 59-63
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 158.9 |
| 2 (C) | 117.3 |
| 3 (CH) | 140.2 |
| 4 (CH) | 107.5 |
| 4a (C) | 158.5 |
| 5 (CH) | 75.2 |
| 6 (CH) | 29.9 |
| 7 (CH2) | 35.8 |
| 8 (C) | 178.2 |
| 8a (C) | 101.7 |
| 9 (C) | 186.6 |
| 9a (C) | 106.3 |
| 10a (C) | 85.2 |
| 1' (C) | 158.9 |
| 2' (C) | 117.3 |
| 3' (CH) | 140.2 |
| 4' (CH) | 107.5 |
| 4'a (C) | 158.5 |
| 5' (CH) | 75.2 |
| 6' (CH) | 29.9 |
| 7' (CH2) | 35.8 |
| 8' (C) | 178.2 |
| 8'a (C) | 101.7 |
| 9' (C) | 186.6 |
| 9'a (C) | 106.3 |
| 10'a (C) | 85.2 |
| 1'' (C) | 170 |
| 1''' (C) | 170 |
| 6a (CH3) | 17.8 |
| 6'a (CH3) | 17.8 |
| 1''a (CH3) | 52.6 |
| 1'''a (CH3) | 52.6 |
