SpectraBase Spectrum ID |
4eVFGWFoPlN |
Name |
DIGITOXIN-ARTIFACT |
Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
InChI |
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3 |
InChIKey |
WDJUZGPOPHTGOT-UHFFFAOYSA-N |
Instrument Name |
DI |
Molecular Weight |
764.950 g/mol |
SMILES |
OC12C3CCC4CC(OC5OC(C(C(O)C5)OC5OC(C)C(OC6OC(C)C(O)C(O)C6)C(O)C5)C)CCC4(C3CCC1(C(CC2)C1=CC(=O)OC1)C)C |
SPLASH |
splash10-01pn-8932000000-fb900bdfeb7ed5979bb5 |
Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |