![#1;DEGALACTOTIGONIN;(3-BETA,5-ALPHA,25-R)-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GA](/api/spectrum/4XBgQenZlk/structure.png?h=300&w=458 "#1;DEGALACTOTIGONIN;(3-BETA,5-ALPHA,25-R)-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GA")
| SpectraBase Compound ID | A3xZaxjZfvG |
|---|---|
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,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-/m1/s1 |
| InChIKey | BJNQXJIQCPPOHN-OQEVTMSQSA-N |
| Mol Weight | 1035.2 g/mol |
| Molecular Formula | C50H82O22 |
| Exact Mass | 1034.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XBgQenZlk |
|---|---|
| Name | #1;DEGALACTOTIGONIN;(3-BETA,5-ALPHA,25-R)-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O22 |
| InChI | InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,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-/m1/s1 |
| InChIKey | BJNQXJIQCPPOHN-OQEVTMSQSA-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 | 1035.188 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15549 |