| SpectraBase Compound ID | 3BWE4WEmKSB |
|---|---|
| InChI | InChI=1S/C70H108O29/c1-33-57(98-64-56(78)62(86-12)61(37(5)91-64)99-63-55(77)54(76)53(75)45(32-71)93-63)41(73)26-49(87-33)95-58-35(3)89-51(28-43(58)84-10)97-60-36(4)90-52(29-44(60)85-11)96-59-34(2)88-50(27-42(59)83-9)92-40-20-21-65(7)46-30-47(94-48(74)19-18-39-16-14-13-15-17-39)66(8)68(80,38(6)72)24-25-70(66,82)69(46,81)23-22-67(65,79)31-40/h13-19,22-23,33-38,40-47,49-64,71-73,75-82H,20-21,24-32H2,1-12H3/b19-18+/t33-,34+,35+,36-,37+,38-,40-,41-,42-,43+,44+,45-,46+,47+,49+,50-,51-,52+,53-,54+,55-,56+,57-,58+,59+,60-,61+,62-,63+,64-,65+,66+,67+,68+,69-,70+/m0/s1 |
| InChIKey | YCCXHRGOAOHARY-FXQIXCKPSA-N |
| Mol Weight | 1413.6 g/mol |
| Molecular Formula | C70H108O29 |
| Exact Mass | 1412.697627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGoUw2MLUYe |
|---|---|
| Name | GYMNEPREGOSIDE-P;#10;12-O-(E)-CINNAMOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H108O29 |
| InChI | InChI=1S/C70H108O29/c1-33-57(98-64-56(78)62(86-12)61(37(5)91-64)99-63-55(77)54(76)53(75)45(32-71)93-63)41(73)26-49(87-33)95-58-35(3)89-51(28-43(58)84-10)97-60-36(4)90-52(29-44(60)85-11)96-59-34(2)88-50(27-42(59)83-9)92-40-20-21-65(7)46-30-47(94-48(74)19-18-39-16-14-13-15-17-39)66(8)68(80,38(6)72)24-25-70(66,82)69(46,81)23-22-67(65,79)31-40/h13-19,22-23,33-38,40-47,49-64,71-73,75-82H,20-21,24-32H2,1-12H3/b19-18+/t33-,34+,35+,36-,37+,38-,40-,41-,42-,43+,44+,45-,46+,47+,49+,50-,51-,52+,53-,54+,55-,56+,57-,58+,59+,60-,61+,62-,63+,64-,65+,66+,67+,68+,69-,70+/m0/s1 |
| InChIKey | YCCXHRGOAOHARY-FXQIXCKPSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,K.TAKAHASHI,M.TANAKA,S.ARIHARA,H.C. CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,798(1999) |
| Literature Reference DOI | 10.1248/cpb.47.798 |
| Molecular Weight | 1413.610 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8039 |