| SpectraBase Compound ID | 1GEfR0UiScf |
|---|---|
| InChI | InChI=1S/C65H92O22/c1-35-52(67)57(77-11)53(68)59(81-35)87-56-38(4)80-51(32-45(56)76-10)86-55-37(3)79-50(31-44(55)75-9)85-54-36(2)78-49(30-43(54)74-8)83-42-24-25-60(6)46-33-47(84-48(66)23-22-40-18-14-12-15-19-40)61(7)63(71,39(5)82-58(69)41-20-16-13-17-21-41)28-29-65(61,73)64(46,72)27-26-62(60,70)34-42/h12-23,26-27,35-39,42-47,49-57,59,67-68,70-73H,24-25,28-34H2,1-11H3/b23-22+/t35-,36+,37-,38+,39-,42-,43-,44+,45+,46+,47+,49-,50+,51-,52-,53-,54+,55-,56+,57-,59+,60+,61+,62+,63+,64-,65+/m0/s1 |
| InChIKey | XQYLOAQLVQZXRB-NXATWUNQSA-N |
| Mol Weight | 1225.4 g/mol |
| Molecular Formula | C65H92O22 |
| Exact Mass | 1224.608025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eqLozvdL61 |
|---|---|
| Name | GYMNEPREGOSIDE-L;#6;12-O-(E)-CINNAMOYL-20-O-BENZOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL-6-DEOXY-3-O-METHYL-BETA-D-ALLOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H92O22 |
| InChI | InChI=1S/C65H92O22/c1-35-52(67)57(77-11)53(68)59(81-35)87-56-38(4)80-51(32-45(56)76-10)86-55-37(3)79-50(31-44(55)75-9)85-54-36(2)78-49(30-43(54)74-8)83-42-24-25-60(6)46-33-47(84-48(66)23-22-40-18-14-12-15-19-40)61(7)63(71,39(5)82-58(69)41-20-16-13-17-21-41)28-29-65(61,73)64(46,72)27-26-62(60,70)34-42/h12-23,26-27,35-39,42-47,49-57,59,67-68,70-73H,24-25,28-34H2,1-11H3/b23-22+/t35-,36+,37-,38+,39-,42-,43-,44+,45+,46+,47+,49-,50+,51-,52-,53-,54+,55-,56+,57-,59+,60+,61+,62+,63+,64-,65+/m0/s1 |
| InChIKey | XQYLOAQLVQZXRB-NXATWUNQSA-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 | 1225.432 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8035 |