Spektraris NMR
Oligandriortholactone
Common Name: Oligandriortholactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O9/c1-19-13-31-23(29-2)18(26)20(10-16(32-23)21(19,27)12-24)15(8-9-22(19,20)28)11-30-17(25)14-6-4-3-5-7-14/h3-7,15-16,18,24,26-28H,8-13H2,1-2H3/t15-,16+,18?,19-,20-,21-,22-,23+/m0/s1
InChIKey: InChIKey=XRNAKPZSMCAUJS-JWLYKMGWSA-N
Formula: C23H30O9
Molecular Weight: 450.479793
Exact Mass: 450.188983
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tang, W.Z., Ma, S.G., Yu, S.S., Qu, J., Liu, Y.B., Liu, J. J Nat Prod (2009) 72, 1017-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 44.6 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 31.6 |
| 4 (C) | 89.2 |
| 5 (C) | 47.3 |
| 6 (C) | 79.1 |
| 7 (CH) | 72.7 |
| 8 (CH2) | 32.6 |
| 9 (C) | 49.8 |
| 10 (CH) | 75.6 |
| 11 (C) | 113.2 |
| 12 (CH2) | 73.2 |
| 13 (CH3) | 15.8 |
| 14 (CH2) | 67.1 |
| 15 (CH2) | 66.7 |
| 1' (C) | 131.4 |
| 2' (CH) | 130.1 |
| 3' (CH) | 129.4 |
| 4' (CH) | 133.7 |
| 5' (CH) | 129.4 |
| 6' (CH) | 130.1 |
| 7' (C) | 166.7 |
| 11a (CH3) | 59.4 |
