![ACUTANGULOSIDE-B;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-28-O-ACETYL-BARRINGTO](/api/spectrum/GZWaCO1D3o/structure.png?h=300&w=458 "ACUTANGULOSIDE-B;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-28-O-ACETYL-BARRINGTO")
| SpectraBase Compound ID | 6SryiLdEi3m |
|---|---|
| InChI | InChI=1S/C56H82O22/c1-25(58)72-24-56-28(20-51(2,3)45(44(56)67)78-47(70)26-12-10-9-11-13-26)27-14-15-32-53(6)18-17-34(52(4,5)31(53)16-19-54(32,7)55(27,8)21-33(56)60)74-50-43(77-49-39(65)37(63)36(62)30(22-57)73-49)41(40(66)42(76-50)46(68)69)75-48-38(64)35(61)29(59)23-71-48/h9-14,28-45,48-50,57,59-67H,15-24H2,1-8H3,(H,68,69)/t28-,29-,30+,31-,32?,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,48+,49-,50-,53-,54+,55+,56-/m0/s1 |
| InChIKey | OHHRFKYWKSEADF-PFOKFYLCSA-N |
| Mol Weight | 1107.2 g/mol |
| Molecular Formula | C56H82O22 |
| Exact Mass | 1106.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZWaCO1D3o |
|---|---|
| Name | ACUTANGULOSIDE-B;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-O-BENZOYL-28-O-ACETYL-BARRINGTO |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O22 |
| InChI | InChI=1S/C56H82O22/c1-25(58)72-24-56-28(20-51(2,3)45(44(56)67)78-47(70)26-12-10-9-11-13-26)27-14-15-32-53(6)18-17-34(52(4,5)31(53)16-19-54(32,7)55(27,8)21-33(56)60)74-50-43(77-49-39(65)37(63)36(62)30(22-57)73-49)41(40(66)42(76-50)46(68)69)75-48-38(64)35(61)29(59)23-71-48/h9-14,28-45,48-50,57,59-67H,15-24H2,1-8H3,(H,68,69)/t28-,29-,30+,31-,32?,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,48+,49-,50-,53-,54+,55+,56-/m0/s1 |
| InChIKey | OHHRFKYWKSEADF-PFOKFYLCSA-N |
| Literature Reference Author | C.MILLS,A.R.CARROLL,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,68,311(2005) |
| Literature Reference DOI | 10.1021/np049741u |
| Molecular Weight | 1107.254 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9331 |