SpectraBase Compound ID | ClqSm7JIAw0 |
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InChI | InChI=1S/C33H48O12/c1-16-26(37)28(41-5)27(38)29(43-16)45-19-8-10-30(3)21(12-19)22(44-17(2)34)14-32(39)23(30)13-24(35)31(4)20(9-11-33(31,32)40)18-6-7-25(36)42-15-18/h6-7,15-16,19-24,26-29,35,37-40H,8-14H2,1-5H3/t16?,19-,20?,21+,22+,23?,24+,26?,27?,28?,29?,30-,31-,32-,33+/m0/s1 |
InChIKey | WSIVNZSEFSQDIX-DOYUXHHPSA-N |
Mol Weight | 636.7 g/mol |
Molecular Formula | C33H48O12 |
Exact Mass | 636.314577 g/mol |
SpectraBase Spectrum ID | 1XBiqmzjXiU |
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Name | 5-ALPHA-4,5-DIHYDRO-12-BETA-HYDROXY-SCILLIROSIDIN-3-O-ALPHA-L-THEVETOSIDE |
Compound Number | 36 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C33H48O12 |
InChI | InChI=1S/C33H48O12/c1-16-26(37)28(41-5)27(38)29(43-16)45-19-8-10-30(3)21(12-19)22(44-17(2)34)14-32(39)23(30)13-24(35)31(4)20(9-11-33(31,32)40)18-6-7-25(36)42-15-18/h6-7,15-16,19-24,26-29,35,37-40H,8-14H2,1-5H3/t16?,19-,20?,21+,22+,23?,24+,26?,27?,28?,29?,30-,31-,32-,33+/m0/s1 |
InChIKey | WSIVNZSEFSQDIX-DOYUXHHPSA-N |
Literature Reference Author | B.KOPP,L.KRENN,M.DRAXLER,A.HOYER,R.TERKOLA,P.VALLASTER,W.ROB IEN |
Literature Reference Citation | PHYTOCHEM.,42,513(1996) |
Literature Reference DOI | 10.1016/0031-9422(95)00876-4 |
Molecular Weight | 636.737 g/mol |
Solvent | CDCl3:CD3OD=1:1 |
Source File Reference | UWLU3400 |