Spektraris NMR
(3β,5ξ,23E)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-25-hydroperoxy-20-hydroxy-19-oxodammar-23-en-21-yl β-D-glucopyranoside
![(3β,5ξ,23E)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-25-hydroperoxy-20-hydroxy-19-oxodammar-23-en-21-yl β-D-glucopyranoside](/nmr/static/nmr/svg/19942.svg)
Common Name: (3β,5ξ,23E)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-α-L-arabinopyranosyl]oxy}-25-hydroperoxy-20-hydroxy-19-oxodammar-23-en-21-yl β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C52H86O23/c1-24-33(57)36(60)40(64)45(70-24)74-42-41(73-43-38(62)34(58)27(55)20-67-43)28(56)21-68-46(42)72-32-13-18-51(22-54)30(48(32,4)5)12-17-50(7)31(51)10-9-25-26(11-16-49(25,50)6)52(65,15-8-14-47(2,3)75-66)23-69-44-39(63)37(61)35(59)29(19-53)71-44/h8,14,22,24-46,53,55-66H,9-13,15-21,23H2,1-7H3/b14-8+/t24-,25+,26-,27+,28+,29+,30-,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41-,42+,43-,44+,45-,46-,49+,50+,51+,52+/m0/s1
InChIKey: InChIKey=NERCPYVYIFBIHU-LFSMLGIGSA-N
Formula: C52H86O23
Molecular Weight: 1079.227485
Exact Mass: 1078.555989
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Lou, F., Pan, R. J Nat Prod (2004) 67, 942-52
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) | 33.7 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 87.3 |
| 4 (C) | 40.7 |
| 5 (CH) | 55 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 34.8 |
| 8 (C) | 40.2 |
| 9 (CH) | 53 |
| 10 (C) | 52.9 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 41.8 |
| 14 (C) | 50.3 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 46.3 |
| 18 (CH3) | 16.1 |
| 19 (CH) | 205.6 |
| 20 (C) | 76.8 |
| 21 (CH2) | 76.3 |
| 22 (CH2) | 39.9 |
| 23 (CH) | 126.8 |
| 24 (CH) | 138.3 |
| 25 (C) | 81.4 |
| 26 (CH3) | 25.3 |
| 27 (CH3) | 25.2 |
| 28 (CH3) | 26.5 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.4 |
| 1' (CH) | 104.8 |
| 2' (CH) | 74.7 |
| 3' (CH) | 81.7 |
| 4' (CH) | 68.4 |
| 5' (CH2) | 65.1 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 105.3 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 77.8 |
| 4''' (CH) | 71 |
| 5''' (CH2) | 67.1 |
| 1'''' (CH) | 106.2 |
| 2'''' (CH) | 75.6 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 71.8 |
| 5'''' (CH) | 78.7 |
| 6'''' (CH2) | 62.9 |
