| SpectraBase Compound ID | 7d58ls6qEls |
|---|---|
| InChI | InChI=1S/C71H110O29/c1-34-58(42(83-9)27-50(88-34)93-41-21-22-66(7)47-31-48(95-49(74)20-19-40-17-15-14-16-18-40)67(8)69(80,39(6)73)25-26-71(67,82)70(47,81)24-23-68(66,79)32-41)96-51-28-43(84-10)59(35(2)89-51)97-52-29-44(85-11)61(37(4)90-52)100-65-57(78)63(87-13)62(38(5)92-65)98-53-30-45(86-12)60(36(3)91-53)99-64-56(77)55(76)54(75)46(33-72)94-64/h14-20,23-24,34-39,41-48,50-65,72-73,75-82H,21-22,25-33H2,1-13H3/b20-19+/t34-,35+,36-,37-,38+,39+,41+,42+,43-,44-,45+,46+,47-,48-,50+,51-,52+,53+,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-/m1/s1 |
| InChIKey | IOKWIKTYVOQAQZ-GNSBPKMMSA-N |
| Mol Weight | 1427.6 g/mol |
| Molecular Formula | C71H110O29 |
| Exact Mass | 1426.713277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AfseOWOU0kW |
|---|---|
| Name | GYMNEPREGOSIDE-M;#7;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)-BETA-D-CYMAR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H110O29 |
| InChI | InChI=1S/C71H110O29/c1-34-58(42(83-9)27-50(88-34)93-41-21-22-66(7)47-31-48(95-49(74)20-19-40-17-15-14-16-18-40)67(8)69(80,39(6)73)25-26-71(67,82)70(47,81)24-23-68(66,79)32-41)96-51-28-43(84-10)59(35(2)89-51)97-52-29-44(85-11)61(37(4)90-52)100-65-57(78)63(87-13)62(38(5)92-65)98-53-30-45(86-12)60(36(3)91-53)99-64-56(77)55(76)54(75)46(33-72)94-64/h14-20,23-24,34-39,41-48,50-65,72-73,75-82H,21-22,25-33H2,1-13H3/b20-19+/t34-,35+,36-,37-,38+,39+,41+,42+,43-,44-,45+,46+,47-,48-,50+,51-,52+,53+,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-/m1/s1 |
| InChIKey | IOKWIKTYVOQAQZ-GNSBPKMMSA-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 | 1427.637 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8036 |