SpectraBase Compound ID | 6xAgQRRMhu1 |
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InChI | InChI=1S/C31H44O14/c1-30-9-7-13(11-12(30)3-4-14-15-5-6-17(32)31(15,2)10-8-16(14)30)42-29-25(21(36)20(35)24(44-29)27(40)41)45-28-22(37)18(33)19(34)23(43-28)26(38)39/h3,13-16,18-25,28-29,33-37H,4-11H2,1-2H3,(H,38,39)(H,40,41)/t13-,14-,15-,16-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 |
InChIKey | RJWOTJABIZAOPL-NZKBJKEPSA-N |
Mol Weight | 640.7 g/mol |
Molecular Formula | C31H44O14 |
Exact Mass | 640.273106 g/mol |
SpectraBase Spectrum ID | 7bFGSwUi18P |
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Name | DEHYDRO-EPIANDROSTERONE-3-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H44O14 |
InChI | InChI=1S/C31H44O14/c1-30-9-7-13(11-12(30)3-4-14-15-5-6-17(32)31(15,2)10-8-16(14)30)42-29-25(21(36)20(35)24(44-29)27(40)41)45-28-22(37)18(33)19(34)23(43-28)26(38)39/h3,13-16,18-25,28-29,33-37H,4-11H2,1-2H3,(H,38,39)(H,40,41)/t13-,14-,15-,16-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 |
InChIKey | RJWOTJABIZAOPL-NZKBJKEPSA-N |
Literature Reference Author | T.MURAI,N.YAMAMURA,T.NITANAI,N.SAMATA,M.TAKEI,H.IWABUCHI,K.T ANAKA,K.MIKAMOTO,T.I |
Literature Reference Citation | DRUG.MET.DISP.,36,368(2008) |
Literature Reference DOI | 10.1124/dmd.107.019059 |
Molecular Weight | 640.682 g/mol |
Source File Reference | UWLU74119 |