SpectraBase Compound ID | 6sIjLxqn1lS |
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InChI | InChI=1S/C45H76O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33+,34-,35+,36-,37-,38-,39+,40-,41+,42+,43?,44?,45?/m0/s1 |
InChIKey | FQMSOJMRNXFKPU-BZHKVLCMSA-N |
Mol Weight | 905.1 g/mol |
Molecular Formula | C45H76O18 |
Exact Mass | 904.503166 g/mol |
SpectraBase Spectrum ID | 4okBXR5joki |
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Name | #26;TRIGONEOSIDE-IIIA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-5-ALPHA-FUROSTANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H76O18 |
InChI | InChI=1S/C45H76O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33+,34-,35+,36-,37-,38-,39+,40-,41+,42+,43?,44?,45?/m0/s1 |
InChIKey | FQMSOJMRNXFKPU-BZHKVLCMSA-N |
Literature Reference Author | P.K.AGRAWAL |
Literature Reference Citation | STEROIDS,70,715(2005) |
Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
Molecular Weight | 905.088 g/mol |
Sample ID | 968771 |
Solvent | C5D5N |