SpectraBase Compound ID | 8wAXzrOpEAN |
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InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20-,21-,22-,23?,24?,25?,26+,27?,28-,29-,30+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+/m0/s1 |
InChIKey | IXUNZKARBRITGN-ICTFEDPTSA-N |
Mol Weight | 1049.2 g/mol |
Molecular Formula | C50H80O23 |
Exact Mass | 1048.509039 g/mol |
SpectraBase Spectrum ID | 6WIYsWY6cn1 |
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Name | 25R-3-BETA-HYDROXY-5-ALPHA-SPIROSTAN-12-ONE-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)]-BET |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C50H80O23 |
InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20-,21-,22-,23?,24?,25?,26+,27?,28-,29-,30+,32?,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+/m0/s1 |
InChIKey | IXUNZKARBRITGN-ICTFEDPTSA-N |
Literature Reference Author | Y.MIMAKI,T.KANMOTO,Y.SASHIDA,A.NISHINO,Y.SATOMI,H.NISHINO |
Literature Reference Citation | PHYTOCHEM.,41,1405(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00789-X |
Molecular Weight | 1049.171 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU4417 |