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)]-6-O-acetyl-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)]-6-O-acetyl-β-D-glucopyranoside](/nmr/static/nmr/svg/3065.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)]-6-O-acetyl-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C49H78O18/c1-22(2)18-25-19-49(59,44(58)63-25)27-12-16-47(8)26(27)10-11-31-46(7)15-14-32(45(5,6)30(46)13-17-48(31,47)9)65-43-40(67-42-38(57)36(55)33(52)23(3)62-42)39(35(54)29(64-43)21-60-24(4)50)66-41-37(56)34(53)28(51)20-61-41/h18,23,25-43,51-57,59H,10-17,19-21H2,1-9H3/t23-,25+,26?,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,46-,47+,48+,49-/m0/s1
InChIKey: InChIKey=AXBJYHWXSQPRFA-OWMKBZSMSA-N
Formula: C49H78O18
Molecular Weight: 955.134726
Exact Mass: 954.518816
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) | 39.7 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 89.6 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.7 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 43.4 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 46 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 16.6 |
| 20 (C) | 79.1 |
| 21 (C) | 179.4 |
| 22 (CH2) | 40.7 |
| 23 (CH) | 74.2 |
| 24 (CH) | 125.5 |
| 25 (C) | 138.5 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 25.6 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 105 |
| 2' (CH) | 76.8 |
| 3' (CH) | 87.9 |
| 4' (CH) | 69.8 |
| 5' (CH) | 74.5 |
| 6' (CH2) | 64.2 |
| 7' (C) | 170.7 |
| 8' (CH3) | 20.8 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67.3 |
