Spektraris NMR
7-Deacetoxy-7R,11‚-dihydroxygedunin
Common Name: 7-Deacetoxy-7R,11‚-dihydroxygedunin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O7/c1-22(2)15-10-17(29)25(5)18(23(15,3)8-6-16(22)28)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)33-20/h6-9,12,14-15,17-20,27,29H,10-11H2,1-5H3/t14-,15-,17+,18+,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey: InChIKey=OLFLLQMUDRRHRK-MBCZXIDESA-N
Formula: C26H32O7
Molecular Weight: 456.529072
Exact Mass: 456.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mitsui, K., Saito, H., Yamamura, R., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. J Nat Prod (2006) 69, 1310-4
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) | 157.2 |
| 2 (CH) | 125.8 |
| 3 (C) | 204.2 |
| 4 (C) | 44.1 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 28 |
| 7 (CH) | 71.5 |
| 8 (C) | 43.5 |
| 9 (CH) | 42.7 |
| 10 (C) | 41.4 |
| 11 (CH) | 65.3 |
| 12 (CH2) | 40.2 |
| 13 (C) | 37.7 |
| 14 (C) | 69.5 |
| 15 (CH) | 56.6 |
| 16 (C) | 167.9 |
| 17 (CH) | 78.3 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 22.8 |
| 20 (C) | 120.5 |
| 21 (CH) | 141.3 |
| 22 (CH) | 110.1 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 20.8 |
