Spektraris NMR
(5alpha,8alpha,9S,10beta,13S)-6alpha-(beta-D-Glucopyranosyloxy)-13-[(2-O-beta-D-fucopyranosyl-alpha-L-rhamnopyranosyl)oxy]cleroda-3,14-diene
![(5alpha,8alpha,9S,10beta,13S)-6alpha-(beta-D-Glucopyranosyloxy)-13-[(2-O-beta-D-fucopyranosyl-alpha-L-rhamnopyranosyl)oxy]cleroda-3,14-diene](/nmr/static/nmr/svg/12929.svg)
Common Name: (5alpha,8alpha,9S,10beta,13S)-6alpha-(beta-D-Glucopyranosyloxy)-13-[(2-O-beta-D-fucopyranosyl-alpha-L-rhamnopyranosyl)oxy]cleroda-3,14-diene
Synonyms: (5alpha,8alpha,9S,10beta,13S)-6alpha-(beta-D-Glucopyranosyloxy)-13-[(2-O-beta-D-fucopyranosyl-alpha-L-rhamnopyranosyl)oxy]cleroda-3,14-diene
CAS Registry Number:
InChI: InChI=1S/C38H64O15/c1-9-36(6,53-35-32(29(45)25(41)20(5)49-35)52-33-30(46)27(43)24(40)19(4)48-33)13-14-37(7)18(3)15-23(38(8)17(2)11-10-12-22(37)38)51-34-31(47)28(44)26(42)21(16-39)50-34/h9,11,18-35,39-47H,1,10,12-16H2,2-8H3/t18-,19-,20+,21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37+,38+/m1/s1
InChIKey: InChIKey=XCPDQADDRLSFKF-BJYLWKITSA-N
Formula: C38H64O15
Molecular Weight: 760.907246
Exact Mass: 760.424521
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) | 18.2 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 122.2 |
| 4 (C) | 145.2 |
| 5 (C) | 44.7 |
| 6 (CH) | 85.7 |
| 7 (CH2) | 35.8 |
| 8 (CH) | 34.6 |
| 9 (C) | 38.3 |
| 10 (CH) | 46.3 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 35.3 |
| 13 (C) | 79.8 |
| 14 (CH) | 143.2 |
| 15 (CH2) | 115.2 |
| 16 (CH3) | 23 |
| 17 (CH3) | 16 |
| 18 (CH3) | 24 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 18.3 |
| 1' (CH) | 104.5 |
| 2' (CH) | 75.4 |
| 3' (CH) | 79.3 |
| 4' (CH) | 72.9 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 95.8 |
| 2'' (CH) | 83.1 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 75.7 |
| 5'' (CH) | 69.4 |
| 6'' (CH3) | 18.5 |
| 1''' (CH) | 107.5 |
| 2''' (CH) | 72 |
| 3''' (CH) | 74.7 |
| 4''' (CH) | 72.8 |
| 5''' (CH) | 71.7 |
| 6''' (CH3) | 17.3 |
