| SpectraBase Compound ID | GQth4Rt0c4Q |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-23-33(60)43(76-46-41(68)38(65)35(62)27(19-56)72-46)44(77-47-42(69)39(66)36(63)28(20-57)73-47)48(70-23)74-31-11-12-50(4)29(51(31,5)21-58)10-13-52(6)30(50)9-8-24-25-16-49(2,3)14-15-54(25,22-59)32(17-53(24,52)7)75-45-40(67)37(64)34(61)26(18-55)71-45/h8-9,23,25-29,31-48,55-69H,10-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,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 | MKMDWIVINLODNU-SYDBDLIWSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VwF79qVCe5 |
|---|---|
| Name | #10;PLEUROSAPONIN-J;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL-16-O-BETA-D-GLUCOPYRANOSYL-3-BETA,16-BETA,23,28-TETRAHYD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-23-33(60)43(76-46-41(68)38(65)35(62)27(19-56)72-46)44(77-47-42(69)39(66)36(63)28(20-57)73-47)48(70-23)74-31-11-12-50(4)29(51(31,5)21-58)10-13-52(6)30(50)9-8-24-25-16-49(2,3)14-15-54(25,22-59)32(17-53(24,52)7)75-45-40(67)37(64)34(61)26(18-55)71-45/h8-9,23,25-29,31-48,55-69H,10-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,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 | MKMDWIVINLODNU-SYDBDLIWSA-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 | 1105.279 g/mol |
| Source File Reference | UWBT4489 |