| SpectraBase Compound ID | 7hjQyrMY3zF |
|---|---|
| InChI | InChI=1S/C54H90O24/c1-22-33(61)43(77-46-41(69)38(66)35(63)26(18-56)73-46)44(78-47-42(70)39(67)36(64)27(19-57)74-47)48(71-22)75-31-11-12-50(4)28(51(31,5)20-58)10-13-52(6)29(50)9-8-23-24-14-49(2,3)32(16-54(24,21-59)30(60)15-53(23,52)7)76-45-40(68)37(65)34(62)25(17-55)72-45/h8,22,24-48,55-70H,9-21H2,1-7H3/t22-,24+,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44-,45-,46+,47-,48+,50-,51-,52+,53+,54+/m0/s1 |
| InChIKey | GHICJSOKEDUXKX-HVDDBEDNSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C54H90O24 |
| Exact Mass | 1122.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXn981WMLOJ |
|---|---|
| Name | #5;PLEUROSAPONIN-E;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL-21-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-BETA,21-BETA,23,28-P |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O24 |
| InChI | InChI=1S/C54H90O24/c1-22-33(61)43(77-46-41(69)38(66)35(63)26(18-56)73-46)44(78-47-42(70)39(67)36(64)27(19-57)74-47)48(71-22)75-31-11-12-50(4)28(51(31,5)20-58)10-13-52(6)29(50)9-8-23-24-14-49(2,3)32(16-54(24,21-59)30(60)15-53(23,52)7)76-45-40(68)37(65)34(62)25(17-55)72-45/h8,22,24-48,55-70H,9-21H2,1-7H3/t22-,24+,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44-,45-,46+,47-,48+,50-,51-,52+,53+,54+/m0/s1 |
| InChIKey | GHICJSOKEDUXKX-HVDDBEDNSA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 1123.294 g/mol |
| Source File Reference | UWBT4484 |