![LABLAB-SAPONIN-I;#1;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2',3'-DIHYDRO-2',5'-DIHYDROXY-6'-](/api/spectrum/8acNgBfmBFq/structure.png?h=300&w=458 "LABLAB-SAPONIN-I;#1;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2',3'-DIHYDRO-2',5'-DIHYDROXY-6'-")
| SpectraBase Compound ID | 6cwHwA9ylwb |
|---|---|
| InChI | InChI=1S/C54H82O22/c1-23-34(59)27(58)17-33(69-23)72-32-19-49(3,4)18-26-25-9-10-30-50(5)13-12-31(51(6,21-56)29(50)11-14-53(30,8)52(25,7)15-16-54(26,32)22-57)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(20-55)71-47)75-46-41(66)37(62)35(60)24(2)70-46/h9,22,24,26,28-33,35-44,46-48,55-56,59-66H,10-21H2,1-8H3,(H,67,68)/t24-,26?,28+,29?,30?,31-,32+,33?,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50?,51-,52?,53?,54-/m0/s1 |
| InChIKey | HTYROAGMQCIQGD-MVZXGYOOSA-N |
| Mol Weight | 1083.2 g/mol |
| Molecular Formula | C54H82O22 |
| Exact Mass | 1082.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8acNgBfmBFq |
|---|---|
| Name | LABLAB-SAPONIN-I;#1;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-(1->)]-22-O-[2',3'-DIHYDRO-2',5'-DIHYDROXY-6'- |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H82O22 |
| InChI | InChI=1S/C54H82O22/c1-23-34(59)27(58)17-33(69-23)72-32-19-49(3,4)18-26-25-9-10-30-50(5)13-12-31(51(6,21-56)29(50)11-14-53(30,8)52(25,7)15-16-54(26,32)22-57)73-48-44(40(65)39(64)42(74-48)45(67)68)76-47-43(38(63)36(61)28(20-55)71-47)75-46-41(66)37(62)35(60)24(2)70-46/h9,22,24,26,28-33,35-44,46-48,55-56,59-66H,10-21H2,1-8H3,(H,67,68)/t24-,26?,28+,29?,30?,31-,32+,33?,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50?,51-,52?,53?,54-/m0/s1 |
| InChIKey | HTYROAGMQCIQGD-MVZXGYOOSA-N |
| Literature Reference Author | Y.YOSHIKI,J.H.KIM,K.OKUBO,I.NAGOYA,T.SAKABE,N.TAMURA |
| Literature Reference Citation | PHYTOCHEM.,38,229(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00571-A |
| Molecular Weight | 1083.232 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS4683 |