| SpectraBase Compound ID | CNW5Jz8j9v |
|---|---|
| InChI | InChI=1S/C64H98O26/c1-31-52(87-46-26-39(77-9)53(32(2)81-46)88-47-27-40(78-10)54(33(3)82-47)89-58-51(71)56(79-11)55(34(4)83-58)90-57-50(70)49(69)48(68)41(30-65)85-57)38(76-8)25-45(80-31)84-37-19-20-59(6)42-28-43(86-44(67)18-17-36-15-13-12-14-16-36)60(7)62(73,35(5)66)23-24-64(60,75)63(42,74)22-21-61(59,72)29-37/h12-18,21-22,31-35,37-43,45-58,65-66,68-75H,19-20,23-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,35+,37+,38+,39-,40-,41-,42-,43-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58-,59-,60-,61-,62-,63+,64-/m1/s1 |
| InChIKey | PTXQACZIRXKHDA-MPZZEEAHSA-N |
| Mol Weight | 1283.5 g/mol |
| Molecular Formula | C64H98O26 |
| Exact Mass | 1282.634633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ce0ZPSDtek |
|---|---|
| Name | GYMNEPREGOSIDE-I;#3;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 | C64H98O26 |
| InChI | InChI=1S/C64H98O26/c1-31-52(87-46-26-39(77-9)53(32(2)81-46)88-47-27-40(78-10)54(33(3)82-47)89-58-51(71)56(79-11)55(34(4)83-58)90-57-50(70)49(69)48(68)41(30-65)85-57)38(76-8)25-45(80-31)84-37-19-20-59(6)42-28-43(86-44(67)18-17-36-15-13-12-14-16-36)60(7)62(73,35(5)66)23-24-64(60,75)63(42,74)22-21-61(59,72)29-37/h12-18,21-22,31-35,37-43,45-58,65-66,68-75H,19-20,23-30H2,1-11H3/b18-17+/t31-,32+,33-,34+,35+,37+,38+,39-,40-,41-,42-,43-,45+,46-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58-,59-,60-,61-,62-,63+,64-/m1/s1 |
| InChIKey | PTXQACZIRXKHDA-MPZZEEAHSA-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 | 1283.467 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8032 |