![(25R)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA](/api/spectrum/wcNFXbFtKe/structure.png?h=300&w=458 "(25R)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA")
| SpectraBase Compound ID | 8Q3OLBICzWx |
|---|---|
| InChI | InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24+,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,51-,52+,53+,54+,55+,56-,57+/m1/s1 |
| InChIKey | AYCHQBWMWFEPIH-QXHKUCTRSA-N |
| Mol Weight | 1171.3 g/mol |
| Molecular Formula | C57H86O25 |
| Exact Mass | 1170.545818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wcNFXbFtKe |
|---|---|
| Name | (25S)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86O25 |
| InChI | InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24+,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,51-,52+,53+,54+,55+,56-,57+/m1/s1 |
| InChIKey | AYCHQBWMWFEPIH-QXHKUCTRSA-N |
| Literature Reference Author | K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,32,1267(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95103-3 |
| Molecular Weight | 1171.295 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6440 |