SpectraBase Compound ID | 6iV9qIk5tdu |
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InChI | InChI=1S/C55H88O26/c1-20-8-11-55(72-17-20)21(2)34-30(81-55)13-27-25-7-6-23-12-24(9-10-53(23,4)26(25)14-33(60)54(27,34)5)74-51-46(79-50-42(68)39(65)35(61)22(3)73-50)43(69)44(32(16-57)76-51)77-52-47(80-49-41(67)37(63)29(59)19-71-49)45(38(64)31(15-56)75-52)78-48-40(66)36(62)28(58)18-70-48/h20-32,34-52,56-59,61-69H,6-19H2,1-5H3/t20?,21-,22+,23?,24-,25?,26?,27?,28+,29+,30?,31+,32+,34?,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54+,55+/m0/s1 |
InChIKey | FUFWMYZFCUYUFQ-DURQVOAYSA-N |
Mol Weight | 1165.3 g/mol |
Molecular Formula | C55H88O26 |
Exact Mass | 1164.556383 g/mol |
SpectraBase Spectrum ID | HbmGvFuP7L3 |
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Name | (25S)-5ALPHA-SPIROSTANE-12-ONE-3BETA-OL-3-O-BETA-XYLOPYRANOSYL(1-2)-[BETA-XYLOPYRANOSYL(1-3)]-BETA-GLUCOPYRANOSYL(1-4)-[ALPHA-RHAMNOPYRANOSYL(1-2)] |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C55H88O26 |
InChI | InChI=1S/C55H88O26/c1-20-8-11-55(72-17-20)21(2)34-30(81-55)13-27-25-7-6-23-12-24(9-10-53(23,4)26(25)14-33(60)54(27,34)5)74-51-46(79-50-42(68)39(65)35(61)22(3)73-50)43(69)44(32(16-57)76-51)77-52-47(80-49-41(67)37(63)29(59)19-71-49)45(38(64)31(15-56)75-52)78-48-40(66)36(62)28(58)18-70-48/h20-32,34-52,56-59,61-69H,6-19H2,1-5H3/t20?,21-,22+,23?,24-,25?,26?,27?,28+,29+,30?,31+,32+,34?,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54+,55+/m0/s1 |
InChIKey | FUFWMYZFCUYUFQ-DURQVOAYSA-N |
Literature Reference Author | L.CAI,Y.WU,J.ZHANG,F.PEI,Y.XU,S.XIE,D.XU |
Literature Reference Citation | PLANTA.MED.,67,196(2001) |
Literature Reference DOI | 10.1055/s-2001-11650 |
Molecular Weight | 1165.288 g/mol |
Solvent | C5D5N |
Source File Reference | UIAP1530 |