| SpectraBase Compound ID | FDqDeJb0GXS |
|---|---|
| InChI | InChI=1S/C65H100O24/c1-33-52(68)58(78-13)53(69)59(83-33)89-57-37(5)82-51(30-44(57)77-12)88-56-36(4)81-50(29-43(56)76-11)87-55-35(3)80-49(28-42(55)75-10)86-54-34(2)79-48(27-41(54)74-9)84-40-21-22-60(7)45-31-46(85-47(67)20-19-39-17-15-14-16-18-39)61(8)63(71,38(6)66)25-26-65(61,73)64(45,72)24-23-62(60,70)32-40/h14-20,23-24,33-38,40-46,48-59,66,68-73H,21-22,25-32H2,1-13H3/b20-19-/t33-,34-,35+,36-,37+,38+,40+,41+,42-,43-,44+,45-,46-,48+,49-,50+,51-,52-,53-,54-,55+,56-,57+,58-,59+,60-,61-,62-,63-,64+,65-/m1/s1 |
| InChIKey | PFSBSIISMROWEA-FUBWZPFZSA-N |
| Mol Weight | 1265.5 g/mol |
| Molecular Formula | C65H100O24 |
| Exact Mass | 1264.660454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UIcbwSM0cw |
|---|---|
| Name | GYMNEPREGOSIDE-O;#9;12-O-(Z)-CINNAMOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H100O24 |
| InChI | InChI=1S/C65H100O24/c1-33-52(68)58(78-13)53(69)59(83-33)89-57-37(5)82-51(30-44(57)77-12)88-56-36(4)81-50(29-43(56)76-11)87-55-35(3)80-49(28-42(55)75-10)86-54-34(2)79-48(27-41(54)74-9)84-40-21-22-60(7)45-31-46(85-47(67)20-19-39-17-15-14-16-18-39)61(8)63(71,38(6)66)25-26-65(61,73)64(45,72)24-23-62(60,70)32-40/h14-20,23-24,33-38,40-46,48-59,66,68-73H,21-22,25-32H2,1-13H3/b20-19-/t33-,34-,35+,36-,37+,38+,40+,41+,42-,43-,44+,45-,46-,48+,49-,50+,51-,52-,53-,54-,55+,56-,57+,58-,59+,60-,61-,62-,63-,64+,65-/m1/s1 |
| InChIKey | PFSBSIISMROWEA-FUBWZPFZSA-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 | 1265.495 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8038 |