Spektraris NMR
Mangostenol
Common Name: Mangostenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H26O7/c1-11(2)6-7-13-20-18(10-17(27)24(13)30-5)31-19-9-16(26)14(8-15(25)12(3)4)22(28)21(19)23(20)29/h6,9-10,15,25-28H,3,7-8H2,1-2,4-5H3
InChIKey: InChIKey=ATOPEAUOJODWMN-UHFFFAOYSA-N
Formula: C24H26O7
Molecular Weight: 426.459956
Exact Mass: 426.167853
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Suksamrarn, S., Suwannapoch, N., Ratananukul, P., Aroonlerk, N., Suksamrarn, A. J Nat Prod (2002) 65, 761-3
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) | 160.6 |
| 2 (C) | 107.7 |
| 3 (C) | 162.7 |
| 4 (CH) | 93.5 |
| 4a (C) | 155.8 |
| 5 (CH) | 101.6 |
| 6 (C) | 155.4 |
| 7 (C) | 143 |
| 8 (C) | 137.2 |
| 8a (C) | 111.3 |
| 9 (C) | 181.8 |
| 9a (C) | 102.9 |
| 10a (C) | 155.2 |
| 1' (CH2) | 28.5 |
| 2' (CH) | 76.1 |
| 3' (C) | 146.9 |
| 4' (CH2) | 109.8 |
| 5' (CH3) | 17.9 |
| 1'' (CH2) | 26.2 |
| 2'' (CH) | 123.2 |
| 3'' (C) | 131.5 |
| 4'' (CH3) | 18.1 |
| 5'' (CH3) | 25.6 |
| 7a (CH3) | 60.9 |
