![(25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-BETA-YL-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BE](/api/spectrum/IzwzxPtPXl4/structure.png?h=300&w=458 "(25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-BETA-YL-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BE")
| SpectraBase Compound ID | C4N3ITx7hBV |
|---|---|
| InChI | InChI=1S/C55H90O27/c1-20-5-10-55(73-17-20)21(2)34-30(82-55)13-25-23-12-27(59)26-11-22(6-8-53(26,3)24(23)7-9-54(25,34)4)74-50-42(69)39(66)44(33(16-58)77-50)78-52-47(46(38(65)32(15-57)76-52)80-49-41(68)36(63)29(61)19-72-49)81-51-43(70)45(37(64)31(14-56)75-51)79-48-40(67)35(62)28(60)18-71-48/h20-52,56-70H,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?/m1/s1 |
| InChIKey | LJRKVIYLPKSCPE-CRCDCMNGSA-N |
| Mol Weight | 1183.3 g/mol |
| Molecular Formula | C55H90O27 |
| Exact Mass | 1182.566948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IzwzxPtPXl4 |
|---|---|
| Name | (25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-BETA-YL-O-BETA-D-XYLOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H90O27 |
| InChI | InChI=1S/C55H90O27/c1-20-5-10-55(73-17-20)21(2)34-30(82-55)13-25-23-12-27(59)26-11-22(6-8-53(26,3)24(23)7-9-54(25,34)4)74-50-42(69)39(66)44(33(16-58)77-50)78-52-47(46(38(65)32(15-57)76-52)80-49-41(68)36(63)29(61)19-72-49)81-51-43(70)45(37(64)31(14-56)75-51)79-48-40(67)35(62)28(60)18-71-48/h20-52,56-70H,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?/m1/s1 |
| InChIKey | LJRKVIYLPKSCPE-CRCDCMNGSA-N |
| Literature Reference Author | Y.MIMAKI,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,63,1519(2000) |
| Literature Reference DOI | 10.1021/np000230r |
| Molecular Weight | 1183.303 g/mol |
| Solvent | C5D5N:CD3OD=2:1 |
| Source File Reference | UWRU8626 |