SpectraBase Compound ID | A5fhJ2NUAvg |
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InChI | InChI=1S/C58H94O28/c1-7-27(63)29-16-23(2)58(86-29)15-14-55(5)26-8-9-33-54(4,25(26)10-13-56(55,58)6)12-11-34(57(33,21-61)22-62)82-50-44(74)42(72)38(68)32(81-50)20-77-52-47(36(66)28(64)19-76-52)84-53-48(85-49-43(73)40(70)35(65)24(3)78-49)46(39(69)31(18-60)80-53)83-51-45(75)41(71)37(67)30(17-59)79-51/h23-24,28-53,59-62,64-75H,7-22H2,1-6H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54-,55+,56+,58+/m1/s1 |
InChIKey | MYZRJFXVRIOKHL-VNVUFTAWSA-N |
Mol Weight | 1239.4 g/mol |
Molecular Formula | C58H94O28 |
Exact Mass | 1238.593162 g/mol |
SpectraBase Spectrum ID | 5yczFXG0r6M |
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Name | SCILLANOSIDE-L-1;#1;15-DEOXO-30-HYDROXYEUCOSTEROL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABI |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C58H94O28 |
InChI | InChI=1S/C58H94O28/c1-7-27(63)29-16-23(2)58(86-29)15-14-55(5)26-8-9-33-54(4,25(26)10-13-56(55,58)6)12-11-34(57(33,21-61)22-62)82-50-44(74)42(72)38(68)32(81-50)20-77-52-47(36(66)28(64)19-76-52)84-53-48(85-49-43(73)40(70)35(65)24(3)78-49)46(39(69)31(18-60)80-53)83-51-45(75)41(71)37(67)30(17-59)79-51/h23-24,28-53,59-62,64-75H,7-22H2,1-6H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54-,55+,56+,58+/m1/s1 |
InChIKey | MYZRJFXVRIOKHL-VNVUFTAWSA-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 | 1239.368 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS20001 |