Spektraris NMR
1R,5R-Diacetoxy-cyclomyltaylane-10-one
Common Name: 1R,5R-Diacetoxy-cyclomyltaylane-10-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-9(20)23-14-12-13-17(5)8-7-11(22)16(3,4)19(14,17)15(18(12,13)6)24-10(2)21/h12-15H,7-8H2,1-6H3/t12?,13-,14-,15-,17-,18?,19-/m1/s1
InChIKey: InChIKey=OYYZWRVOMXLYIZ-QXIWTPAUSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Kurata, R., Asakawa, Y. Chem Pharm Bull (2005) 53, 515-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 77.5 |
| 2 (CH) | 26 |
| 3 (CH) | 34.8 |
| 4 (C) | 23.8 |
| 5 (CH) | 82.5 |
| 6 (C) | 56.4 |
| 7 (C) | 46.2 |
| 8 (CH2) | 32.5 |
| 9 (CH2) | 33.3 |
| 10 (C) | 214.7 |
| 11 (C) | 47.7 |
| 12 (CH3) | 13 |
| 13 (CH3) | 22.4 |
| 14 (CH3) | 24.2 |
| 15 (CH3) | 24.6 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.7 |
| 5a (C) | 170.5 |
| 5b (CH3) | 21.4 |
