Spektraris NMR
(3β,13ξ,20R,23R)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranoside
![(3β,13ξ,20R,23R)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 4-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-6-O-acetyl-β-D-glucopyranoside](/nmr/static/nmr/svg/3070.svg)
Common Name: (3β,13ξ,20R,23R)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 4-O-acetyl-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/C51H80O19/c1-23(2)19-27-20-51(61,46(60)66-27)29-13-17-49(9)28(29)11-12-33-48(8)16-15-34(47(6,7)32(48)14-18-50(33,49)10)68-45-42(70-44-39(59)37(57)40(24(3)64-44)65-26(5)53)41(36(56)31(67-45)22-62-25(4)52)69-43-38(58)35(55)30(54)21-63-43/h19,24,27-45,54-59,61H,11-18,20-22H2,1-10H3/t24-,27+,28?,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-,48-,49+,50+,51+/m0/s1
InChIKey: InChIKey=GNPHDYIUBQNJSR-MNDDXLLWSA-N
Formula: C51H80O19
Molecular Weight: 997.171485
Exact Mass: 996.52938
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) | 40 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89.8 |
| 4 (C) | 40 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 35.8 |
| 8 (C) | 41.1 |
| 9 (CH) | 51.5 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 45.3 |
| 14 (C) | 50.5 |
| 15 (CH2) | 32 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 45.6 |
| 18 (CH3) | 16 |
| 19 (CH3) | 17 |
| 20 (C) | 81.5 |
| 21 (C) | 178.6 |
| 22 (CH2) | 39.4 |
| 23 (CH) | 75.3 |
| 24 (CH) | 124.2 |
| 25 (C) | 139.8 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 105 |
| 2' (CH) | 75.8 |
| 3' (CH) | 88.3 |
| 4' (CH) | 70 |
| 5' (CH) | 74.8 |
| 6' (CH2) | 64.3 |
| 7' (C) | 171 |
| 8' (CH3) | 21.2 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 72.2 |
| 3'' (CH) | 70.1 |
| 4'' (CH) | 76.1 |
| 5'' (CH) | 67.1 |
| 6'' (CH3) | 18.2 |
| 7'' (C) | 171 |
| 8'' (CH3) | 20.9 |
| 1''' (CH) | 105.3 |
| 2''' (CH) | 74.6 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 67.4 |
