![3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OLEANOIC-ACID](/api/spectrum/9c5PaoPSKZj/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OLEANOIC-ACID")
| SpectraBase Compound ID | IHOnBuK0nhS |
|---|---|
| InChI | InChI=1S/C53H86O21/c1-23-42(73-44-38(62)32(56)26(55)21-67-44)37(61)41(65)45(69-23)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-46-40(64)36(60)34(58)28(71-46)22-68-43-39(63)35(59)33(57)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | RIYQVJZPODFQNS-HKEBQPPQSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C53H86O21 |
| Exact Mass | 1058.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9c5PaoPSKZj |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL]-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-OLEANOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O21 |
| InChI | InChI=1S/C53H86O21/c1-23-42(73-44-38(62)32(56)26(55)21-67-44)37(61)41(65)45(69-23)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-46-40(64)36(60)34(58)28(71-46)22-68-43-39(63)35(59)33(57)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | RIYQVJZPODFQNS-HKEBQPPQSA-N |
| Literature Reference Author | E.P.KEMERTELIDZE,L.N.GVAZAVA,M.D.ALANIA,V.S.KIKOLADZE,V.G.TS ITSISHVILI |
| Literature Reference Citation | J.NAT.PROD.,55,217(1992) |
| Literature Reference DOI | 10.1021/np50080a010 |
| Molecular Weight | 1059.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS15320 |