| SpectraBase Compound ID | BeV3ViqM4bv |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-27(56-34-32(51)30(49)28(47)22(17-43)54-34)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,16-26(37)46)36(53)57-35-33(52)31(50)29(48)23(18-44)55-35/h7,21-35,43-52H,8-19H2,1-6H3/t21?,22-,23-,24?,25?,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,38?,39+,40?,41?,42-/m1/s1 |
| InChIKey | APCGQAFBMYYDJX-DAFZUXBDSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KldTCCDvMWB |
|---|---|
| Name | LUCYOSIDE-E;21-BETA-HYDROXY-3-O-BETA-D-GLUCOPYRANOSYL-HEDERAGENIN-28-O-BETA-GLUCOPYRANOSYLESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-27(56-34-32(51)30(49)28(47)22(17-43)54-34)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,16-26(37)46)36(53)57-35-33(52)31(50)29(48)23(18-44)55-35/h7,21-35,43-52H,8-19H2,1-6H3/t21?,22-,23-,24?,25?,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,38?,39+,40?,41?,42-/m1/s1 |
| InChIKey | APCGQAFBMYYDJX-DAFZUXBDSA-N |
| Literature Reference Author | I.YANO,C.NISHIIZUMI,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,32,417(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95006-4 |
| Molecular Weight | 812.993 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4527 |