| SpectraBase Compound ID | GSzXEsrg1vI |
|---|---|
| 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-/m1/s1 |
| InChIKey | XQYLOAQLVQZXRB-BXAZFGOCSA-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 | EriuYAgJfhh |
|---|---|
| Name | #16;20-O-BENZOYL-12-O-E-CINNAMOYL-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAHYDROXY-20S-PREGN-6-ENE-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA- |
| 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-/m1/s1 |
| InChIKey | XQYLOAQLVQZXRB-BXAZFGOCSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1225.432 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20272 |