Spektraris NMR
(6S,13S)-13-0-[α-L-Rhamnopyranosyl-(1-->4)-β-D-fucopyranosyl]-6-O-[β-D-glucopyranosyl-(1-->4)-α-L-rhamnopyranosyl]cleroda-3,14-diene-6,13-diol
![(6S,13S)-13-0-[α-L-Rhamnopyranosyl-(1-->4)-β-D-fucopyranosyl]-6-O-[β-D-glucopyranosyl-(1-->4)-α-L-rhamnopyranosyl]cleroda-3,14-diene-6,13-diol](/nmr/static/nmr/svg/12928.svg)
Common Name: (6S,13S)-13-0-[α-L-Rhamnopyranosyl-(1-->4)-β-D-fucopyranosyl]-6-O-[β-D-glucopyranosyl-(1-->4)-α-L-rhamnopyranosyl]cleroda-3,14-diene-6,13-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H74O19/c1-10-42(7,63-41-35(55)31(51)37(22(6)58-41)61-39-32(52)28(48)26(46)20(4)56-39)14-15-43(8)19(3)16-25(44(9)18(2)12-11-13-24(43)44)60-38-34(54)30(50)36(21(5)57-38)62-40-33(53)29(49)27(47)23(17-45)59-40/h10,12,19-41,45-55H,1,11,13-17H2,2-9H3/t19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,44+/m1/s1
InChIKey: InChIKey=OCBSEIOKSACOIW-BXDPOKSKSA-N
Formula: C44H74O19
Molecular Weight: 907.048689
Exact Mass: 906.48243
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aoki, T., Ohro, T., Hiraga, Y., Suga, T., Uno, M., Ohta, S. Phytochemistry (1997) 46, 839-44
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.1 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 123.2 |
| 4 (C) | 143.5 |
| 5 (C) | 44.2 |
| 6 (CH) | 86.6 |
| 7 (CH2) | 35.3 |
| 8 (CH) | 34.4 |
| 9 (C) | 38.3 |
| 10 (CH) | 45.9 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 35.3 |
| 13 (C) | 80.6 |
| 14 (CH) | 144.7 |
| 15 (CH2) | 115.1 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 16 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 18.1 |
| 1' (CH) | 103.2 |
| 2' (CH) | 72.3 |
| 3' (CH) | 72.6 |
| 4' (CH) | 84.7 |
| 5' (CH) | 68.4 |
| 6' (CH3) | 18.1 |
| 1'' (CH) | 106.5 |
| 2'' (CH) | 76.3 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 99.9 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 76 |
| 4''' (CH) | 78.3 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 18 |
| 1'''' (CH) | 103.2 |
| 2'''' (CH) | 72.3 |
| 3'''' (CH) | 72.6 |
| 4'''' (CH) | 73.8 |
| 5'''' (CH) | 70.2 |
| 6'''' (CH3) | 18.4 |
