Spektraris NMR
3-acetoxy-8,14-dien-8,30-seco-khayalactone
Common Name: 3-acetoxy-8,14-dien-8,30-seco-khayalactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-15(30)24(37-16(2)31)27(4)14-29(34)28(5,20(27)12-21(32)35-6)18-7-9-26(3)19(23(18)39-29)11-22(33)38-25(26)17-8-10-36-13-17/h8,10-11,13,20,24-25,34H,7,9,12,14H2,1-6H3/t20-,24?,25-,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=KRYPAGFLOBJWAI-IWTKQJNOSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ferreira, I.C., Cortez, D.A., das, G.F.d.S.M.F., Fo, E.R., Vieira, P.C., Fernandes, J.B. J Nat Prod (2005) 68, 413-6
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 (C) | 117.2 |
| 2 (C) | 205.6 |
| 3 (CH) | 80.4 |
| 4 (C) | 44.3 |
| 5 (CH) | 46.8 |
| 6 (CH2) | 31.8 |
| 7 (C) | 173.4 |
| 8 (C) | 141.9 |
| 9 (C) | 130.6 |
| 10 (C) | 57.6 |
| 11 (CH2) | 16.8 |
| 12 (CH2) | 31.8 |
| 13 (C) | 38 |
| 14 (C) | 150.8 |
| 15 (CH) | 108.6 |
| 16 (C) | 165.8 |
| 17 (CH) | 80.7 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.8 |
| 20 (C) | 120.1 |
| 21 (CH) | 141.1 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 18.5 |
| 29 (CH2) | 46.9 |
| 30 (CH3) | 28.7 |
| 3a (C) | 170.4 |
| 3b (CH3) | 20.6 |
| 7a (CH3) | 52 |
