![HEDERAGENIN-3-O-[3,4-O-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]](/api/spectrum/74KkjCPDOdj/structure.png?h=300&w=458 "HEDERAGENIN-3-O-[3,4-O-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]")
| SpectraBase Compound ID | 8Hbc1xw4iQs |
|---|---|
| InChI | InChI=1S/C50H78O18/c1-24-34(55)39(67-41-36(57)38(65-26(3)53)30(22-62-41)64-25(2)52)37(58)42(63-24)68-40-35(56)29(54)21-61-43(40)66-33-13-14-46(6)31(47(33,7)23-51)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51,54-58H,11-23H2,1-9H3,(H,59,60)/t24-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43-,46-,47-,48?,49+,50-/m0/s1 |
| InChIKey | YWTUZIXCNQDLDQ-NGNHYLDHSA-N |
| Mol Weight | 967.2 g/mol |
| Molecular Formula | C50H78O18 |
| Exact Mass | 966.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74KkjCPDOdj |
|---|---|
| Name | HEDERAGENIN-3-O-[3,4-O-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE] |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78O18 |
| InChI | InChI=1S/C50H78O18/c1-24-34(55)39(67-41-36(57)38(65-26(3)53)30(22-62-41)64-25(2)52)37(58)42(63-24)68-40-35(56)29(54)21-61-43(40)66-33-13-14-46(6)31(47(33,7)23-51)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51,54-58H,11-23H2,1-9H3,(H,59,60)/t24-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43-,46-,47-,48?,49+,50-/m0/s1 |
| InChIKey | YWTUZIXCNQDLDQ-NGNHYLDHSA-N |
| Literature Reference Author | R.K.GROVER,A.D.ROY,R.ROY,S.K.JOSHI,V.SRIVASTAVA,S.K.ARORA |
| Literature Reference Citation | MAGN.RES.CHEM.,43,1072(2005) |
| Literature Reference DOI | 10.1002/mrc.1675 |
| Molecular Weight | 967.159 g/mol |
| Solvent | C5D5N:D2O=4:1 |
| Source File Reference | UWLU36437 |