Spektraris NMR
11,13-Dihydroxyalantolactone
Common Name: 11,13-Dihydroxyalantolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-9-4-3-5-14(2)7-12-11(6-10(9)14)15(18,8-16)13(17)19-12/h6,9,11-12,16,18H,3-5,7-8H2,1-2H3/t9-,11-,12+,14+,15?/m0/s1
InChIKey: InChIKey=QSFSKQKVBNITLP-QVJXNOHFSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantrell, C.L., Abate, L., Fronczek, F.R., Franzblau, S.G., Quijano, L., Fischer, N.H. Planta Med (1999) 65, 351-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 42.3 |
| 2 (CH2) | 16.9 |
| 3 (CH2) | 32.9 |
| 4 (CH) | 38.6 |
| 5 (C) | 152.9 |
| 6 (CH) | 112.5 |
| 7 (CH) | 44.9 |
| 8 (CH) | 78 |
| 9 (CH2) | 42.6 |
| 10 (C) | 33 |
| 11 (C) | 77.4 |
| 12 (C) | 177.9 |
| 13 (CH2) | 64.2 |
| 14 (CH3) | 28.8 |
| 15 (CH3) | 23.1 |
