![INDICASAPONIN-A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-URSOLIC-ACID-28-O-[BETA-D-GL](/api/spectrum/BdwtR3FhlFH/structure.png?h=300&w=458 "INDICASAPONIN-A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-URSOLIC-ACID-28-O-[BETA-D-GL")
| SpectraBase Compound ID | 3EztHo4Je7l |
|---|---|
| InChI | InChI=1S/C52H84O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)35(59)28(19-54)69-45)17-16-50(6)24(32(52)23(22)2)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-44-39(63)36(60)34(58)27(18-53)68-44)41(26(56)21-67-46)71-43-38(62)33(57)25(55)20-66-43/h8,22-23,25-46,53-64H,9-21H2,1-7H3/t22-,23+,25+,26+,27+,28-,29+,30-,31?,32+,33+,34+,35-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45+,46+,49+,50-,51-,52+/m1/s1 |
| InChIKey | WXTKBPIMWISGRA-PUXAGBGYSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C52H84O21 |
| Exact Mass | 1044.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdwtR3FhlFH |
|---|---|
| Name | INDICASAPONIN-A;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-URSOLIC-ACID-28-O-[BETA-D-GL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O21 |
| InChI | InChI=1S/C52H84O21/c1-22-10-15-52(47(65)73-45-40(64)37(61)35(59)28(19-54)69-45)17-16-50(6)24(32(52)23(22)2)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-42(72-44-39(63)36(60)34(58)27(18-53)68-44)41(26(56)21-67-46)71-43-38(62)33(57)25(55)20-66-43/h8,22-23,25-46,53-64H,9-21H2,1-7H3/t22-,23+,25+,26+,27+,28-,29+,30-,31?,32+,33+,34+,35-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45+,46+,49+,50-,51-,52+/m1/s1 |
| InChIKey | WXTKBPIMWISGRA-PUXAGBGYSA-N |
| Literature Reference Author | K.H.SHAKER,M.BERNHARDT,M.H.A.ELGAMAL,K.EIFERT |
| Literature Reference Citation | PHYTOCHEM.,51,1049(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00750-X |
| Molecular Weight | 1045.226 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN11013 |