| SpectraBase Compound ID | 86DYqM2mXRK |
|---|---|
| InChI | InChI=1S/C51H82O23/c1-6-26(56)28-15-23(2)51(74-28)14-13-47(4)25-7-8-31-46(3,24(25)9-12-48(47,51)5)11-10-32(49(31,19-53)20-54)71-42-38(63)36(61)35(60)30(70-42)18-67-43-39(33(58)27(57)17-66-43)72-44-40(37(62)34(59)29(16-52)69-44)73-45-41(64)50(65,21-55)22-68-45/h23,27-45,52-55,57-65H,6-22H2,1-5H3/t23-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,50-,51+/m1/s1 |
| InChIKey | LACGFVMQJFXGRV-NLTLBIQNSA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C51H82O23 |
| Exact Mass | 1062.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7r2TWm1IWUZ |
|---|---|
| Name | MUSCAROSIDE-C;(23S)-17,23-EPOXY-30,31-DIHYDROXY-27-NOR-5-ALPHA-LANOST-8-EN-3-BETA-O-BETA-D-APIO-D-FURANOSYL-(1-2)-BETA-D-GLUCOPYRANOSYL-(1-2)-ALPHA-L-ARABINOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O23 |
| InChI | InChI=1S/C51H82O23/c1-6-26(56)28-15-23(2)51(74-28)14-13-47(4)25-7-8-31-46(3,24(25)9-12-48(47,51)5)11-10-32(49(31,19-53)20-54)71-42-38(63)36(61)35(60)30(70-42)18-67-43-39(33(58)27(57)17-66-43)72-44-40(37(62)34(59)29(16-52)69-44)73-45-41(64)50(65,21-55)22-68-45/h23,27-45,52-55,57-65H,6-22H2,1-5H3/t23-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,50-,51+/m1/s1 |
| InChIKey | LACGFVMQJFXGRV-NLTLBIQNSA-N |
| Literature Reference Author | R.LANZETTA,G.LAONIGRO,M.PARRILLI,E.BREITMAIER |
| Literature Reference Citation | CAN.J.CHEM.,62,2874(1984) |
| Literature Reference DOI | 10.1139/v84-485 |
| Molecular Weight | 1063.198 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS6555 |