| SpectraBase Compound ID | LxRSs5KmPEw |
|---|---|
| InChI | InChI=1S/C56H84O21/c1-28-43(58)48(68-11)44(59)50(72-28)77-47-31(4)71-42(25-37(47)67-10)76-46-30(3)70-41(24-36(46)66-9)75-45-29(2)69-40(23-35(45)65-8)73-34-17-18-51(6)38-26-39(74-49(60)33-15-13-12-14-16-33)52(7)54(62,32(5)57)21-22-56(52,64)55(38,63)20-19-53(51,61)27-34/h12-16,19-20,28-31,34-48,50,58-59,61-64H,17-18,21-27H2,1-11H3/t28?,29?,30?,31?,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53-,54+,55-,56+/m0/s1 |
| InChIKey | YRQPGNNXGIPIGC-WDSKQUJKSA-N |
| Mol Weight | 1093.3 g/mol |
| Molecular Formula | C56H84O21 |
| Exact Mass | 1092.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfvNzBGXr6I |
|---|---|
| Name | #17;12-O-BENZOYL-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA-HEXAHYDROXY-PREGN-6-ENE-20-ONE-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O21 |
| InChI | InChI=1S/C56H84O21/c1-28-43(58)48(68-11)44(59)50(72-28)77-47-31(4)71-42(25-37(47)67-10)76-46-30(3)70-41(24-36(46)66-9)75-45-29(2)69-40(23-35(45)65-8)73-34-17-18-51(6)38-26-39(74-49(60)33-15-13-12-14-16-33)52(7)54(62,32(5)57)21-22-56(52,64)55(38,63)20-19-53(51,61)27-34/h12-16,19-20,28-31,34-48,50,58-59,61-64H,17-18,21-27H2,1-11H3/t28?,29?,30?,31?,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53-,54+,55-,56+/m0/s1 |
| InChIKey | YRQPGNNXGIPIGC-WDSKQUJKSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1093.270 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20273 |