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#5;26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-FUROSTA-5,25(27)-DIENE-1-BETA,3-BETA,22-XI,26-TETROL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1
SpectraBase Compound ID 3nGbUv7xuzK
InChI InChI=1S/C50H80O22/c1-20(17-64-44-40(61)38(59)36(57)31(16-51)68-44)9-12-50(63-6)21(2)33-30(72-50)15-27-25-8-7-23-13-24(52)14-32(49(23,5)26(25)10-11-48(27,33)4)69-47-43(71-46-41(62)37(58)34(55)22(3)67-46)42(29(54)19-66-47)70-45-39(60)35(56)28(53)18-65-45/h7,21-22,24-47,51-62H,1,8-19H2,2-6H3/t21-,22+,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 KCPKRFGAFUBIBG-QCZRYPRPSA-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 C73MtF0NwqA
Name #5;26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-FUROSTA-5,25(27)-DIENE-1-BETA,3-BETA,22-XI,26-TETROL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O22
InChI InChI=1S/C50H80O22/c1-20(17-64-44-40(61)38(59)36(57)31(16-51)68-44)9-12-50(63-6)21(2)33-30(72-50)15-27-25-8-7-23-13-24(52)14-32(49(23,5)26(25)10-11-48(27,33)4)69-47-43(71-46-41(62)37(58)34(55)22(3)67-46)42(29(54)19-66-47)70-45-39(60)35(56)28(53)18-65-45/h7,21-22,24-47,51-62H,1,8-19H2,2-6H3/t21-,22+,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 KCPKRFGAFUBIBG-QCZRYPRPSA-N
Literature Reference Author Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA
Literature Reference Citation CHEM.PHARM.BULL.,46,298(1998)
Literature Reference DOI 10.1248/cpb.46.298
Molecular Weight 1033.172 g/mol
Solvent C5D5N
Source File Reference UWMS6226