Spektraris NMR
11R-Hydroxygedunin
Common Name: 11R-Hydroxygedunin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O8/c1-14(29)34-19-11-17-24(2,3)18(31)7-9-25(17,4)20-16(30)12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,36-22)27(19,20)6/h7-10,13,16-17,19-22,30H,11-12H2,1-6H3/t16-,17+,19-,20-,21+,22-,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=CJCDIECVGAPJFT-BJEYKFBUSA-N
Formula: C28H34O8
Molecular Weight: 498.56583
Exact Mass: 498.225368
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) | 161.4 |
| 2 (CH) | 123.9 |
| 3 (C) | 204.1 |
| 4 (C) | 44.2 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 22.8 |
| 7 (CH) | 72.9 |
| 8 (C) | 42.4 |
| 9 (CH) | 46.7 |
| 10 (C) | 41 |
| 11 (CH) | 65.7 |
| 12 (CH2) | 39.8 |
| 13 (C) | 38.6 |
| 14 (C) | 70.1 |
| 15 (CH) | 57.7 |
| 16 (C) | 167.4 |
| 17 (CH) | 77.7 |
| 18 (CH3) | 17 |
| 19 (CH3) | 21 |
| 20 (C) | 120.2 |
| 21 (CH) | 141.2 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 27.2 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 19.9 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21 |
