Spektraris NMR
8α-O-α-D-Glucopyranosyllabd-13E-ene-15,19-diol-8R-2′,3′,4′,6′-hexaacetate
Common Name: 8α-O-α-D-Glucopyranosyllabd-13E-ene-15,19-diol-8R-2′,3′,4′,6′-hexaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O10/c1-18(11-15-37-19(2)32)8-9-23-29(5)13-7-12-28(4,17-38-20(3)33)22(29)10-14-30(23,6)40-27-26(36)25(35)24(34)21(16-31)39-27/h11,21-27,31,34-36H,7-10,12-17H2,1-6H3/b18-11+/t21-,22+,23-,24-,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=OBRNGHJYRDAFQD-RPDKWAMOSA-N
Formula: C30H50O10
Molecular Weight: 570.713164
Exact Mass: 570.340398
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hegazy, M.E.F., Ohta, S., Abdel-latif, F.F., Albadry, H.A., Ohta, E., Pare, P.W., Hirata, T. J Nat Prod (2008) 71, 1070-3
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) | 38.9 |
| 2 (CH2) | 17.4 |
| 3 (CH2) | 35.7 |
| 4 (C) | 36.4 |
| 5 (CH) | 50 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 40 |
| 8 (C) | 81.9 |
| 9 (CH) | 60.1 |
| 10 (C) | 38.8 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 42.6 |
| 13 (C) | 143.5 |
| 14 (CH) | 117.4 |
| 15 (CH2) | 61.5 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 20.6 |
| 18 (CH2) | 72.7 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 16.1 |
| 1' (CH) | 93.9 |
| 2' (CH) | 71.6 |
| 3' (CH) | 73.1 |
| 4' (CH) | 68.9 |
| 5' (CH) | 71.2 |
| 6' (CH2) | 62.3 |
| 15a (C) | 168.8 |
| 15b (CH3) | 20.6 |
| 18a (C) | 171 |
| 18b (CH3) | 21.1 |
