![ASTER-SAPONIN-HD;3-O-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAM](/api/spectrum/2FRIUx88tkU/structure.png?h=300&w=458 "ASTER-SAPONIN-HD;3-O-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAM")
| SpectraBase Compound ID | DN4WI1lYdRy |
|---|---|
| InChI | InChI=1S/C63H100O30/c1-25-43(88-51-41(75)44(30(67)22-83-51)89-50-39(73)35(69)28(65)20-82-50)45(90-55-48(77)62(80,23-64)24-85-55)42(76)53(86-25)92-47-36(70)29(66)21-84-54(47)93-56(79)63-17-16-57(2,3)18-27(63)26-10-11-32-59(6)14-13-34(87-52-40(74)37(71)38(72)46(91-52)49(78)81-9)58(4,5)31(59)12-15-60(32,7)61(26,8)19-33(63)68/h10,25,27-48,50-55,64-77,80H,11-24H2,1-9H3/t25-,27?,28+,29-,30+,31?,32?,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48-,50-,51-,52+,53-,54-,55-,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | KOKGEDVAEYIIOT-HBDSKSPJSA-N |
| Mol Weight | 1337.5 g/mol |
| Molecular Formula | C63H100O30 |
| Exact Mass | 1336.629942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FRIUx88tkU |
|---|---|
| Name | ASTER-SAPONIN-HD;3-O-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-[APIOFURANOSYL-(1->3)]-RHAM |
| Compound Number | 51 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O30 |
| InChI | InChI=1S/C63H100O30/c1-25-43(88-51-41(75)44(30(67)22-83-51)89-50-39(73)35(69)28(65)20-82-50)45(90-55-48(77)62(80,23-64)24-85-55)42(76)53(86-25)92-47-36(70)29(66)21-84-54(47)93-56(79)63-17-16-57(2,3)18-27(63)26-10-11-32-59(6)14-13-34(87-52-40(74)37(71)38(72)46(91-52)49(78)81-9)58(4,5)31(59)12-15-60(32,7)61(26,8)19-33(63)68/h10,25,27-48,50-55,64-77,80H,11-24H2,1-9H3/t25-,27?,28+,29-,30+,31?,32?,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,48-,50-,51-,52+,53-,54-,55-,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | KOKGEDVAEYIIOT-HBDSKSPJSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1337.469 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1057 |