Spektraris NMR
(13S)-8,13-Epoxy-14-(alpha-L-arabinopyranosyloxy)-15-acetoxylabdane
Common Name: (13S)-8,13-Epoxy-14-(alpha-L-arabinopyranosyloxy)-15-acetoxylabdane
Synonyms: (13S)-8,13-Epoxy-14-(alpha-L-arabinopyranosyloxy)-15-acetoxylabdane
CAS Registry Number:
InChI: InChI=1S/C27H46O8/c1-16(28)32-15-20(34-23-22(31)21(30)17(29)14-33-23)27(6)13-9-19-25(4)11-7-10-24(2,3)18(25)8-12-26(19,5)35-27/h17-23,29-31H,7-15H2,1-6H3/t17-,18-,19+,20?,21-,22+,23-,25-,26+,27-/m0/s1
InChIKey: InChIKey=GGSPDNHJIMTLKQ-ACGUYHTFSA-N
Formula: C27H46O8
Molecular Weight: 498.650383
Exact Mass: 498.319268
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ahmed, U.M., El-Bassuony, A.A., Abd El-Razk, M.H., Pare, P.W., Karchesy, J. J Nat Prod (2001) 64, 1365-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 38.6 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 51 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 43.4 |
| 8 (C) | 75.3 |
| 9 (CH) | 56.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 13.8 |
| 12 (CH2) | 27.6 |
| 13 (C) | 76.7 |
| 14 (CH) | 90 |
| 15 (CH2) | 63.8 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 26.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 14.4 |
| 1' (CH) | 107 |
| 2' (CH) | 73 |
| 3' (CH) | 74.1 |
| 4' (CH) | 68.3 |
| 5' (CH2) | 66.3 |
| 15a (C) | 171 |
| 15b (CH3) | 21.4 |
