| SpectraBase Compound ID | 5tCUeIkFvRM |
|---|---|
| InChI | InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21+,22+,23+,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+,49+,50-,51-,52-,53-,54+,55+,56+/m1/s1 |
| InChIKey | NHXQDKBXCHZJKL-SCQPHHPDSA-N |
| Mol Weight | 1213.3 g/mol |
| Molecular Formula | C56H92O28 |
| Exact Mass | 1212.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTWNErVmDLH |
|---|---|
| Name | #5;SOLANIGROSIDE_F;23-O-BETA-D-GLUCOPYRANOSYL-(25R)-3-BETA,23-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3) |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O28 |
| InChI | InChI=1S/C56H92O28/c1-20-11-33(80-51-43(70)39(66)36(63)29(14-57)76-51)56(74-18-20)21(2)34-28(84-56)13-26-24-6-5-22-12-23(7-9-54(22,3)25(24)8-10-55(26,34)4)75-50-45(72)41(68)46(32(17-60)79-50)81-53-48(83-52-44(71)40(67)37(64)30(15-58)77-52)47(38(65)31(16-59)78-53)82-49-42(69)35(62)27(61)19-73-49/h20-53,57-72H,5-19H2,1-4H3/t20-,21+,22+,23+,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+,49+,50-,51-,52-,53-,54+,55+,56+/m1/s1 |
| InChIKey | NHXQDKBXCHZJKL-SCQPHHPDSA-N |
| Literature Reference Author | X.ZHOU,X.HE,G.WANG,H.GAO,G.ZHOU,W.YE,X.YAO |
| Literature Reference Citation | J.NAT.PROD.,69,1158(2006) |
| Literature Reference DOI | 10.1021/np060091z |
| Molecular Weight | 1213.330 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15554 |