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ASPIDISTRIN=DIOSGENIN-3-O-BETA-LYCOTETRAOSID
SpectraBase Compound ID 24PZ30pLnmr
InChI InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21-,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+/m0/s1
InChIKey XGYNVBAFYOIJRP-IJOCJELTSA-N
Mol Weight 1033.2 g/mol
Molecular Formula C50H80O22
Exact Mass 1032.514124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2D6abt5kTR
Name ASPIDISTRIN=DIOSGENIN-3-O-BETA-LYCOTETRAOSID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O22
InChI InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h5,20-21,23-47,51-62H,6-19H2,1-4H3/t20-,21-,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+/m0/s1
InChIKey XGYNVBAFYOIJRP-IJOCJELTSA-N
Literature Reference Author Y.HIRAI,T.KONISHI,S.SANADA,Y.IDA,J.SHOJI
Literature Reference Citation CHEM.PHARM.BULL.,30,3476(1982)
Literature Reference DOI 10.1248/cpb.30.3476
Molecular Weight 1033.172 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW17039