SpectraBase Compound ID | 46QxmEypPei |
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InChI | InChI=1S/C59H94O28/c1-23-16-58(86-48(23)75)17-24(2)59(87-58)15-14-56(6)27-8-9-32-54(4,26(27)10-13-57(56,59)7)12-11-33(55(32,5)22-62)82-50-43(73)41(71)37(67)31(81-50)21-77-52-46(35(65)28(63)20-76-52)84-53-47(85-49-42(72)39(69)34(64)25(3)78-49)45(38(68)30(19-61)80-53)83-51-44(74)40(70)36(66)29(18-60)79-51/h23-25,28-47,49-53,60-74H,8-22H2,1-7H3/t23-,24-,25+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58?,59+/m1/s1 |
InChIKey | CMHXUBSOBRQNSP-TXUDARMDSA-N |
Mol Weight | 1251.4 g/mol |
Molecular Formula | C59H94O28 |
Exact Mass | 1250.593162 g/mol |
SpectraBase Spectrum ID | 2mT1KiQqixU |
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Name | SCILLANOSIDE-L-2;#2;3-BETA,31-DIHYDROXY-17-ALPHA,23-EPOXY-5-ALPHA-LANOST-8-EN-23,26-OLACTONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)] |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C59H94O28 |
InChI | InChI=1S/C59H94O28/c1-23-16-58(86-48(23)75)17-24(2)59(87-58)15-14-56(6)27-8-9-32-54(4,26(27)10-13-57(56,59)7)12-11-33(55(32,5)22-62)82-50-43(73)41(71)37(67)31(81-50)21-77-52-46(35(65)28(63)20-76-52)84-53-47(85-49-42(72)39(69)34(64)25(3)78-49)45(38(68)30(19-61)80-53)83-51-44(74)40(70)36(66)29(18-60)79-51/h23-25,28-47,49-53,60-74H,8-22H2,1-7H3/t23-,24-,25+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58?,59+/m1/s1 |
InChIKey | CMHXUBSOBRQNSP-TXUDARMDSA-N |
Literature Reference Author | S.M.LEE,H.K.CHUN,C.H.LEE,B.S.MIN,E.S.LEE,Y.H.KHO |
Literature Reference Citation | CHEM.PHARM.BULL.,50,1245(2002) |
Literature Reference DOI | 10.1248/cpb.50.1245 |
Molecular Weight | 1251.379 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS20002 |