Spektraris NMR
(20S)-20,21-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-25-hydroperoxydammara-23-ene-19-al
Common Name: (20S)-20,21-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-25-hydroperoxydammara-23-ene-19-al
Synonyms: (20S)-20,21-Dihydroxy-3beta-(2-O-alpha-L-rhamnopyranosyl-3-O-beta-D-xylopyranosyl-alpha-L-arabinopyranosyloxy)-25-hydroperoxydammara-23-ene-19-al
CAS Registry Number:
InChI: InChI=1S/C46H76O18/c1-23-31(51)33(53)35(55)39(60-23)63-37-36(62-38-34(54)32(52)26(49)19-58-38)27(50)20-59-40(37)61-30-13-18-45(21-47)28(42(30,4)5)12-17-44(7)29(45)10-9-24-25(11-16-43(24,44)6)46(56,22-48)15-8-14-41(2,3)64-57/h8,14,21,23-40,48-57H,9-13,15-20,22H2,1-7H3/b14-8+/t23-,24+,25-,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,43+,44+,45+,46+/m0/s1
InChIKey: InChIKey=QBJFMCUJPDPEHH-WUHWWLDCSA-N
Formula: C46H76O18
Molecular Weight: 917.086637
Exact Mass: 916.503166
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Pan, R. Chem Pharm Bull (2004) 52, 1440-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 33.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 87.5 |
| 4 (C) | 40.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35 |
| 8 (C) | 40.4 |
| 9 (CH) | 53.3 |
| 10 (C) | 53.1 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 41.7 |
| 14 (C) | 50.5 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 46.5 |
| 18 (CH3) | 16.3 |
| 19 (CH) | 205.5 |
| 20 (C) | 72.8 |
| 21 (CH2) | 67.2 |
| 22 (CH2) | 40.3 |
| 23 (CH) | 127.3 |
| 24 (CH) | 138.1 |
| 25 (C) | 81.5 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 17.6 |
| 1' (CH) | 105 |
| 2' (CH) | 74.9 |
| 3' (CH) | 81.8 |
| 4' (CH) | 68.7 |
| 5' (CH2) | 65.3 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 70.3 |
| 6'' (CH3) | 18.9 |
| 1''' (CH) | 105.5 |
| 2''' (CH) | 74.7 |
| 3''' (CH) | 78 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67.3 |
