Spektraris NMR
1α-hydroxy-6β-isobutyryloxy-10αH-9-oxofuranoeremophilane
Common Name: 1α-hydroxy-6β-isobutyryloxy-10αH-9-oxofuranoeremophilane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-9(2)18(22)24-17-13-10(3)8-23-16(13)15(21)14-12(20)7-6-11(4)19(14,17)5/h8-9,11-12,14,17,20H,6-7H2,1-5H3/t11-,12-,14-,17+,19+/m0/s1
InChIKey: InChIKey=AXTBBOHGQOEWMH-ZXRHMVHLSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gu, J.Q., Wang, Y., Franzblau, S.G., Montenegro, G., Timmermann, B.N. J Nat Prod (2004) 67, 1483-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 66.3 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 30.1 |
| 4 (CH) | 41.9 |
| 5 (C) | 50.9 |
| 6 (CH) | 74.7 |
| 7 (C) | 136 |
| 8 (C) | 146.5 |
| 9 (C) | 189.2 |
| 10 (CH) | 60.7 |
| 11 (C) | 121.1 |
| 12 (CH) | 146 |
| 13 (CH3) | 8.9 |
| 14 (CH3) | 17.8 |
| 15 (CH3) | 8.8 |
| 6a (C) | 176.3 |
| 6b (CH) | 34.5 |
| 6c (CH3) | 18.7 |
| 6d (CH3) | 18.6 |
