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#2;24,25,26-TRINOR-23-OXO-15-DEOXY-EUCOSTEROL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-ALPHA-L-ARA
SpectraBase Compound ID 7WgkCOUHXpu
InChI InChI=1S/C55H88O27/c1-21-15-31(60)82-55(21)14-13-53(5)24-7-8-29-51(3,23(24)9-12-54(53,55)6)11-10-30(52(29,4)20-58)78-47-41(70)39(68)35(64)28(77-47)19-73-49-44(33(62)25(59)18-72-49)80-50-45(81-46-40(69)37(66)32(61)22(2)74-46)43(36(65)27(17-57)76-50)79-48-42(71)38(67)34(63)26(16-56)75-48/h21-22,25-30,32-50,56-59,61-71H,7-20H2,1-6H3/t21-,22+,25+,26-,27-,28-,29-,30+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+/m1/s1
InChIKey WWBVHOYMNHWCLR-PGBMLMLMSA-N
Mol Weight 1181.3 g/mol
Molecular Formula C55H88O27
Exact Mass 1180.551298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tq9s057Kss
Name #2;24,25,26-TRINOR-23-OXO-15-DEOXY-EUCOSTEROL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-ALPHA-L-ARA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H88O27
InChI InChI=1S/C55H88O27/c1-21-15-31(60)82-55(21)14-13-53(5)24-7-8-29-51(3,23(24)9-12-54(53,55)6)11-10-30(52(29,4)20-58)78-47-41(70)39(68)35(64)28(77-47)19-73-49-44(33(62)25(59)18-72-49)80-50-45(81-46-40(69)37(66)32(61)22(2)74-46)43(36(65)27(17-57)76-50)79-48-42(71)38(67)34(63)26(16-56)75-48/h21-22,25-30,32-50,56-59,61-71H,7-20H2,1-6H3/t21-,22+,25+,26-,27-,28-,29-,30+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+/m1/s1
InChIKey WWBVHOYMNHWCLR-PGBMLMLMSA-N
Literature Reference Author M.ONO,Y.TAKATSU,T.OCHIAI,S.YASUDA,Y.NISHIDA,T.TANAKA,M.OKAWA ,J.KINJO
Literature Reference Citation CHEM.PHARM.BULL.,60,1314(2012)
Literature Reference DOI 10.1248/cpb.c12-00457
Molecular Weight 1181.288 g/mol
Source File Reference UWBT4602