Spektraris NMR
11‚-Hydroxygedunin
Common Name: 11‚-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+/m0/s1
InChIKey: InChIKey=CJCDIECVGAPJFT-ZINBXAAWSA-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) | 156.7 |
| 2 (CH) | 125.9 |
| 3 (C) | 203.8 |
| 4 (C) | 43.9 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 74.5 |
| 8 (C) | 42.5 |
| 9 (CH) | 44.2 |
| 10 (C) | 41.3 |
| 11 (CH) | 64.9 |
| 12 (CH2) | 39.5 |
| 13 (C) | 38.2 |
| 14 (C) | 69.3 |
| 15 (CH) | 56 |
| 16 (C) | 167.3 |
| 17 (CH) | 78 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 22.6 |
| 20 (C) | 120.2 |
| 21 (CH) | 141.3 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 20.5 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.1 |
