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#54;26-O-BETA-D-GLUCOPYRANOSYL-22-ALPHA-METHOXY-3-BETA,26-DIHYDROXY-(25S)-FUROST-5-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L
SpectraBase Compound ID BGG7KMcKNLp
InChI InChI=1S/C58H96O27/c1-22(21-75-51-44(70)41(67)37(63)32(18-59)79-51)10-15-58(74-7)23(2)35-31(85-58)17-30-28-9-8-26-16-27(11-13-56(26,5)29(28)12-14-57(30,35)6)78-55-50(84-52-45(71)40(66)36(62)24(3)76-52)49(39(65)34(20-61)81-55)83-53-47(73)43(69)48(25(4)77-53)82-54-46(72)42(68)38(64)33(19-60)80-54/h8,22-25,27-55,59-73H,9-21H2,1-7H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45-,46-,47+,48-,49-,50+,51-,52+,53-,54+,55+,56?,57?,58+/m0/s1
InChIKey SYSUVSWAEOKAPR-HSTBPXBXSA-N
Mol Weight 1225.4 g/mol
Molecular Formula C58H96O27
Exact Mass 1224.613898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bWmqNNmf1
Name #54;26-O-BETA-D-GLUCOPYRANOSYL-22-ALPHA-METHOXY-3-BETA,26-DIHYDROXY-(25S)-FUROST-5-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H96O27
InChI InChI=1S/C58H96O27/c1-22(21-75-51-44(70)41(67)37(63)32(18-59)79-51)10-15-58(74-7)23(2)35-31(85-58)17-30-28-9-8-26-16-27(11-13-56(26,5)29(28)12-14-57(30,35)6)78-55-50(84-52-45(71)40(66)36(62)24(3)76-52)49(39(65)34(20-61)81-55)83-53-47(73)43(69)48(25(4)77-53)82-54-46(72)42(68)38(64)33(19-60)80-54/h8,22-25,27-55,59-73H,9-21H2,1-7H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45-,46-,47+,48-,49-,50+,51-,52+,53-,54+,55+,56?,57?,58+/m0/s1
InChIKey SYSUVSWAEOKAPR-HSTBPXBXSA-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 1225.384 g/mol
Sample ID 968799
Solvent C5D5N