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RUSCOGENIN-1-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-4,6-DI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE];(25R)-SPIROST-5-ENE-1-BET
SpectraBase Compound ID 8zPT6HXmS4I
InChI InChI=1S/C49H76O20/c1-20-10-13-49(61-18-20)21(2)34-30(69-49)16-29-27-9-8-25-14-26(53)15-33(48(25,7)28(27)11-12-47(29,34)6)66-46-43(39(58)41(63-24(5)52)32(65-46)19-60-23(4)51)68-45-40(59)42(35(54)22(3)62-45)67-44-38(57)37(56)36(55)31(17-50)64-44/h8,20-22,26-46,50,53-59H,9-19H2,1-7H3/t20-,21-,22+,26+,27?,28?,29?,30?,31-,32-,33+,34?,35+,36-,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+/m0/s1
InChIKey FDRGUSRCJMIOAR-HBFMVNTFSA-N
Mol Weight 985.1 g/mol
Molecular Formula C49H76O20
Exact Mass 984.492995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRu6ev2zTcK
Name RUSCOGENIN-1-O-[O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-4,6-DI-O-ACETYL-BETA-D-GALACTOPYRANOSIDE];(25R)-SPIROST-5-ENE-1-BET
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H76O20
InChI InChI=1S/C49H76O20/c1-20-10-13-49(61-18-20)21(2)34-30(69-49)16-29-27-9-8-25-14-26(53)15-33(48(25,7)28(27)11-12-47(29,34)6)66-46-43(39(58)41(63-24(5)52)32(65-46)19-60-23(4)51)68-45-40(59)42(35(54)22(3)62-45)67-44-38(57)37(56)36(55)31(17-50)64-44/h8,20-22,26-46,50,53-59H,9-19H2,1-7H3/t20-,21-,22+,26+,27?,28?,29?,30?,31-,32-,33+,34?,35+,36-,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+/m0/s1
InChIKey FDRGUSRCJMIOAR-HBFMVNTFSA-N
Literature Reference Author Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,48,485(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00036-3
Molecular Weight 985.130 g/mol
Solvent C5D5N
Source File Reference UWMS1039