| SpectraBase Compound ID | FpNUsnTu7RC |
|---|---|
| InChI | InChI=1S/C31H46O14/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/h12-16,18-25,28-29,33-37H,3-11H2,1-2H3,(H,38,39)(H,40,41)/t12-,13-,14-,15-,16-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 |
| InChIKey | CWNZQCUWZKEZOH-MYQCTXGPSA-N |
| Mol Weight | 642.7 g/mol |
| Molecular Formula | C31H46O14 |
| Exact Mass | 642.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fu3rHrf9hN |
|---|---|
| Name | EPIANDROSTERONE-3-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O14 |
| InChI | InChI=1S/C31H46O14/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/h12-16,18-25,28-29,33-37H,3-11H2,1-2H3,(H,38,39)(H,40,41)/t12-,13-,14-,15-,16-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1 |
| InChIKey | CWNZQCUWZKEZOH-MYQCTXGPSA-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 | 642.698 g/mol |
| Source File Reference | UWLU74118 |