![SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[O-BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOSYL]-16-ALPHA-HYDROXY-13-](/api/spectrum/GxMeVtzPm27/structure.png?h=300&w=458 "SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[O-BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOSYL]-16-ALPHA-HYDROXY-13-")
| SpectraBase Compound ID | ENGCGhTgUTm |
|---|---|
| InChI | InChI=1S/C52H86O21/c1-46(2)14-15-51-22-67-52(29(51)16-46)13-9-28-48(5)11-10-31(47(3,4)27(48)8-12-49(28,6)50(52,7)17-30(51)56)71-44-40(73-43-39(64)36(61)33(58)24(18-53)68-43)35(60)26(21-66-44)70-45-41(37(62)34(59)25(19-54)69-45)72-42-38(63)32(57)23(55)20-65-42/h23-45,53-64H,8-22H2,1-7H3/t23-,24-,25-,26+,27?,28?,29?,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | GQENXAKENMICMF-VMPARDSQSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C52H86O21 |
| Exact Mass | 1046.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxMeVtzPm27 |
|---|---|
| Name | SAPONIN-1;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[O-BETA-D-GLUCOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOSYL]-16-ALPHA-HYDROXY-13- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86O21 |
| InChI | InChI=1S/C52H86O21/c1-46(2)14-15-51-22-67-52(29(51)16-46)13-9-28-48(5)11-10-31(47(3,4)27(48)8-12-49(28,6)50(52,7)17-30(51)56)71-44-40(73-43-39(64)36(61)33(58)24(18-53)68-43)35(60)26(21-66-44)70-45-41(37(62)34(59)25(19-54)69-45)72-42-38(63)32(57)23(55)20-65-42/h23-45,53-64H,8-22H2,1-7H3/t23-,24-,25-,26+,27?,28?,29?,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | GQENXAKENMICMF-VMPARDSQSA-N |
| Literature Reference Author | V.R.HEGDE,J.SILVER,M.G.PATEL,R.BRYANT,J.PAI,P.R.DAS,M.S.PUAR ,P.A.COX |
| Literature Reference Citation | J.NAT.PROD.,58,1492(1995) |
| Literature Reference DOI | 10.1021/np50124a003 |
| Molecular Weight | 1047.242 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU614 |