SpectraBase Compound ID | 3eujgRI8QFl |
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InChI | InChI=1S/C69H112O27/c1-32(2)33(3)23-50(72)91-49-30-48-65(10)19-18-41(24-40(65)17-20-68(48,77)69(78)22-21-67(76,39(9)71)66(49,69)11)89-51-25-42(79-12)59(34(4)84-51)92-52-26-43(80-13)60(35(5)85-52)93-53-27-44(81-14)61(36(6)86-53)94-54-28-45(82-15)62(37(7)87-54)95-55-29-46(83-16)63(38(8)88-55)96-64-58(75)57(74)56(73)47(31-70)90-64/h17,23,32,34-38,41-49,51-64,70,73-78H,18-22,24-31H2,1-16H3/b33-23+/t34-,35+,36-,37+,38-,41+,42+,43-,44-,45+,46-,47+,48-,49-,51+,52-,53+,54-,55+,56+,57-,58+,59-,60?,61-,62+,63-,64-,65+,66-,67-,68+,69-/m1/s1 |
InChIKey | OVTBGUGBJPKUEG-LJFQYNDSSA-N |
Mol Weight | 1373.6 g/mol |
Molecular Formula | C69H112O27 |
Exact Mass | 1372.739098 g/mol |
SpectraBase Spectrum ID | HpdRk6kJppc |
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Name | CAUDATIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-B |
Compound Number | 12 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C69H112O27 |
InChI | InChI=1S/C69H112O27/c1-32(2)33(3)23-50(72)91-49-30-48-65(10)19-18-41(24-40(65)17-20-68(48,77)69(78)22-21-67(76,39(9)71)66(49,69)11)89-51-25-42(79-12)59(34(4)84-51)92-52-26-43(80-13)60(35(5)85-52)93-53-27-44(81-14)61(36(6)86-53)94-54-28-45(82-15)62(37(7)87-54)95-55-29-46(83-16)63(38(8)88-55)96-64-58(75)57(74)56(73)47(31-70)90-64/h17,23,32,34-38,41-49,51-64,70,73-78H,18-22,24-31H2,1-16H3/b33-23+/t34-,35+,36-,37+,38-,41+,42+,43-,44-,45+,46-,47+,48-,49-,51+,52-,53+,54-,55+,56+,57-,58+,59-,60?,61-,62+,63-,64-,65+,66-,67-,68+,69-/m1/s1 |
InChIKey | OVTBGUGBJPKUEG-LJFQYNDSSA-N |
Literature Reference Author | T.WARASHINA,T.NORO |
Literature Reference Citation | PHYTOCHEM.,44,917(1997) |
Literature Reference DOI | 10.1016/S0031-9422(96)00640-1 |
Molecular Weight | 1373.632 g/mol |
Solvent | C5D5N |
Source File Reference | UWPA339 |