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#52;26-O-BETA-D-GLUCOPYRANOSYL-22-XI-METHOXY-3-BETA,6-BETA,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)
SpectraBase Compound ID 7vPmbho88gW
InChI InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)6-11-58(77-5)22(2)35-29(88-58)14-26-24-13-28(64)27-12-23(7-9-56(27,3)25(24)8-10-57(26,35)4)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3/t21-,22+,23+,24-,25+,26+,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?/m1/s1
InChIKey NRHZCFPSWLGNEH-BUZWQZRNSA-N
Mol Weight 1275.4 g/mol
Molecular Formula C58H98O30
Exact Mass 1274.614292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSxCNlhZtKX
Name #52;26-O-BETA-D-GLUCOPYRANOSYL-22-XI-METHOXY-3-BETA,6-BETA,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H98O30
InChI InChI=1S/C58H98O30/c1-21(20-78-51-44(73)40(69)36(65)30(15-59)80-51)6-11-58(77-5)22(2)35-29(88-58)14-26-24-13-28(64)27-12-23(7-9-56(27,3)25(24)8-10-57(26,35)4)79-52-47(76)43(72)48(34(19-63)84-52)85-55-50(87-54-46(75)42(71)38(67)32(17-61)82-54)49(39(68)33(18-62)83-55)86-53-45(74)41(70)37(66)31(16-60)81-53/h21-55,59-76H,6-20H2,1-5H3/t21-,22+,23+,24-,25+,26+,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?/m1/s1
InChIKey NRHZCFPSWLGNEH-BUZWQZRNSA-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 1275.398 g/mol
Sample ID 968797
Solvent C5D5N