![#1;DIPSACUS-SAPONIN-B;HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1-4)-[ALPHA-L-RHAMNOPYRANOSYL-(1-6)]-BETA-D-GLUCOPYRANOSYL-(1-3)-ALPHA-L-RHAMNOPYRANOSYL-(1-2)-ALP](/api/spectrum/LIEINHXivZ4/structure.png?h=300&w=458 "#1;DIPSACUS-SAPONIN-B;HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1-4)-[ALPHA-L-RHAMNOPYRANOSYL-(1-6)]-BETA-D-GLUCOPYRANOSYL-(1-3)-ALPHA-L-RHAMNOPYRANOSYL-(1-2)-ALP")
| SpectraBase Compound ID | 2yspcLmKn5V |
|---|---|
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)41(70)48(78-24)77-22-30-45(83-49-42(71)39(68)37(66)29(20-60)80-49)40(69)43(72)50(81-30)84-46-35(64)25(2)79-51(44(46)73)85-47-36(65)28(62)21-76-52(47)82-33-12-13-55(5)31(56(33,6)23-61)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,53(74)75)18-16-57(26,58)7/h9,24-25,27-52,60-73H,10-23H2,1-8H3,(H,74,75)/t24-,25-,27?,28-,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50-,51+,52+,55-,56-,57+,58+,59-/m0/s1 |
| InChIKey | VRSMQLTXCNCRPI-RCHGLSIESA-N |
| Mol Weight | 1221.4 g/mol |
| Molecular Formula | C59H96O26 |
| Exact Mass | 1220.618983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIEINHXivZ4 |
|---|---|
| Name | #1;DIPSACUS-SAPONIN-B;HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1-4)-[ALPHA-L-RHAMNOPYRANOSYL-(1-6)]-BETA-D-GLUCOPYRANOSYL-(1-3)-ALPHA-L-RHAMNOPYRANOSYL-(1-2)-ALP |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O26 |
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)41(70)48(78-24)77-22-30-45(83-49-42(71)39(68)37(66)29(20-60)80-49)40(69)43(72)50(81-30)84-46-35(64)25(2)79-51(44(46)73)85-47-36(65)28(62)21-76-52(47)82-33-12-13-55(5)31(56(33,6)23-61)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,53(74)75)18-16-57(26,58)7/h9,24-25,27-52,60-73H,10-23H2,1-8H3,(H,74,75)/t24-,25-,27?,28-,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50-,51+,52+,55-,56-,57+,58+,59-/m0/s1 |
| InChIKey | VRSMQLTXCNCRPI-RCHGLSIESA-N |
| Literature Reference Author | K.Y.JUNG,J.C.DO,K.H.SON |
| Literature Reference Citation | J.NAT.PROD.,56,1912(1993) |
| Literature Reference DOI | 10.1021/np50101a007 |
| Molecular Weight | 1221.396 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5166 |