SpectraBase Compound ID | Ev4GDOiNn1N |
---|---|
InChI | InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3/t25-,29-,30+,31-,32-,34+,35-,38-,39-,40-,41+,42+,44-,45-,46-,47-,48+/m0/s1 |
InChIKey | KQJXNSWVFJLYMH-ANNLHUPLSA-N |
Mol Weight | 903.1 g/mol |
Molecular Formula | C48H70O16 |
Exact Mass | 902.466386 g/mol |
SpectraBase Spectrum ID | 2ZvOZZGThGd |
---|---|
Name | #3;3-BETA,16-BETA,17-ALPHA-TRIHYDROXYCHOLEST-5-EN-22-ONE-16-O-[2-O-3,4-DIMETHOXYBENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-(2-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE) |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H70O16 |
InChI | InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3/t25-,29-,30+,31-,32-,34+,35-,38-,39-,40-,41+,42+,44-,45-,46-,47-,48+/m0/s1 |
InChIKey | KQJXNSWVFJLYMH-ANNLHUPLSA-N |
Literature Reference Author | S.KUBO,Y.MIMAKI,M.TERAO,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
Literature Reference Citation | PHYTOCHEM.,31,3969(1992) |
Literature Reference DOI | 10.1016/S0031-9422(00)97565-4 |
Molecular Weight | 903.074 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU28862 |