![DIPSACUS-SAPONIN-C;HEDERAGENIN-3-O-BETA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSYL-(1-4)-BETA-D-GLUCOPYRANOSYL-(1-3)-[ALPHA-L-RHAMNOPYRANOSYL-(1-4)]-ALPHA-L-RHAMNOP](/api/spectrum/FyWpdVnZHVl/structure.png?h=300&w=458 "DIPSACUS-SAPONIN-C;HEDERAGENIN-3-O-BETA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSYL-(1-4)-BETA-D-GLUCOPYRANOSYL-(1-3)-[ALPHA-L-RHAMNOPYRANOSYL-(1-4)]-ALPHA-L-RHAMNOP")
| SpectraBase Compound ID | DKY5LYSQUBs |
|---|---|
| InChI | InChI=1S/C64H104O30/c1-25-36(70)39(73)43(77)53(85-25)90-47-26(2)86-56(46(80)50(47)93-55-45(79)41(75)49(32(21-66)88-55)92-54-44(78)40(74)48(31(20-65)87-54)91-52-42(76)37(71)29(68)22-83-52)94-51-38(72)30(69)23-84-57(51)89-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,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+,53+,54-,55+,56+,57+,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | VLWAVQMAMACHCI-JMHMCDRSSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C64H104O30 |
| Exact Mass | 1352.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyWpdVnZHVl |
|---|---|
| Name | DIPSACUS-SAPONIN-C;HEDERAGENIN-3-O-BETA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSYL-(1-4)-BETA-D-GLUCOPYRANOSYL-(1-3)-[ALPHA-L-RHAMNOPYRANOSYL-(1-4)]-ALPHA-L-RHAMNOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O30 |
| InChI | InChI=1S/C64H104O30/c1-25-36(70)39(73)43(77)53(85-25)90-47-26(2)86-56(46(80)50(47)93-55-45(79)41(75)49(32(21-66)88-55)92-54-44(78)40(74)48(31(20-65)87-54)91-52-42(76)37(71)29(68)22-83-52)94-51-38(72)30(69)23-84-57(51)89-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,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+,53+,54-,55+,56+,57+,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | VLWAVQMAMACHCI-JMHMCDRSSA-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 | 1353.512 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5167 |