Spektraris NMR
6-O-Deacetylsecomahoganin
Common Name: 6-O-Deacetylsecomahoganin
Synonyms: 6-O-Deacetylsecomahoganin
CAS Registry Number:
InChI: InChI=1S/C27H34O8/c1-23(2)17(13-28)24(3,10-8-18(23)29)16-7-11-25(4)19(15-9-12-33-14-15)34-21(30)20-27(25,35-20)26(16,5)22(31)32-6/h8-10,12,14,16-17,19-20,28H,7,11,13H2,1-6H3/t16-,17+,19+,20-,24-,25+,26+,27-/m1/s1
InChIKey: InChIKey=FRQQICZGMXISSV-LAMXMUIOSA-N
Formula: C27H34O8
Molecular Weight: 486.555094
Exact Mass: 486.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelgaleil, S.A., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2006) 67, 452-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 152.6 |
| 2 (CH) | 126.5 |
| 3 (C) | 203.6 |
| 4 (C) | 44.9 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 61.1 |
| 7 (C) | 176.7 |
| 8 (C) | 43.1 |
| 9 (CH) | 43.1 |
| 10 (C) | 50.8 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 32.5 |
| 13 (C) | 37.8 |
| 14 (C) | 68.2 |
| 15 (CH) | 51.4 |
| 16 (C) | 166.9 |
| 17 (CH) | 78.4 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 18.2 |
| 20 (C) | 120 |
| 21 (CH) | 141.2 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 24.2 |
| 29 (CH3) | 23.2 |
| 30 (CH3) | 15.1 |
| 7a (CH3) | 53.3 |
