Spektraris NMR
(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside
![(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside](/nmr/static/nmr/svg/3067.svg)
Common Name: (3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-21(2)17-23-18-47(57,42(56)60-23)25-11-15-45(7)24(25)9-10-29-44(6)14-13-30(43(4,5)28(44)12-16-46(29,45)8)62-41-38(64-40-36(55)34(53)31(50)22(3)59-40)37(33(52)27(19-48)61-41)63-39-35(54)32(51)26(49)20-58-39/h17,22-41,48-55,57H,9-16,18-20H2,1-8H3/t22-,23+,24?,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=FYSVMXWLJSUANI-ICNHTURQSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ying, F., Hu, L.-H. Helv Chim Acta (2005) 88, 1126-34
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) | 39.8 |
| 2 (CH2) | 27 |
| 3 (CH) | 89 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.8 |
| 8 (C) | 40.8 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 43.4 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 45.9 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 16.7 |
| 20 (C) | 79.1 |
| 21 (C) | 179.5 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 74.2 |
| 24 (CH) | 125.5 |
| 25 (C) | 138.5 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 105.1 |
| 2' (CH) | 77.1 |
| 3' (CH) | 88.3 |
| 4' (CH) | 69.9 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105 |
| 2''' (CH) | 75 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67.4 |
