| SpectraBase Compound ID | GXdwHvgkz0W |
|---|---|
| InChI | InChI=1S/C54H90O24/c1-22-32(61)42(77-46-40(69)37(66)34(63)27(18-56)73-46)43(78-47-41(70)38(67)35(64)28(19-57)74-47)48(71-22)75-30-9-10-50(4)29(51(30,5)20-58)8-11-52(6)44(50)25(60)14-23-24-15-49(2,3)12-13-54(24,21-59)31(16-53(23,52)7)76-45-39(68)36(65)33(62)26(17-55)72-45/h14,22,24-48,55-70H,8-13,15-21H2,1-7H3/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 | BSRBMQQNOLETTD-XEDUZCKTSA-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 | 7IEoRqYEjQe |
|---|---|
| Name | #7;PLEUROSAPONIN-G;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL-16-O-BETA-D-GLUCOPYRANOSYL-3-BETA,11-ALPHA,16-BETA,23,28- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H90O24 |
| InChI | InChI=1S/C54H90O24/c1-22-32(61)42(77-46-40(69)37(66)34(63)27(18-56)73-46)43(78-47-41(70)38(67)35(64)28(19-57)74-47)48(71-22)75-30-9-10-50(4)29(51(30,5)20-58)8-11-52(6)44(50)25(60)14-23-24-15-49(2,3)12-13-54(24,21-59)31(16-53(23,52)7)76-45-39(68)36(65)33(62)26(17-55)72-45/h14,22,24-48,55-70H,8-13,15-21H2,1-7H3/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 | BSRBMQQNOLETTD-XEDUZCKTSA-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 | UWBT4486 |