| SpectraBase Compound ID | 8NCGWITu2Bj |
|---|---|
| InChI | InChI=1S/C39H62O14/c1-17-5-10-39(48-16-17)18(2)28-25(53-39)13-22-20-12-24(23-11-19(42)6-8-37(23,3)21(20)7-9-38(22,28)4)49-36-33(47)34(30(44)27(15-41)51-36)52-35-32(46)31(45)29(43)26(14-40)50-35/h17-18,20-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | OTPOGAZHSQHELL-UGGFVVRFSA-N |
| Mol Weight | 754.9 g/mol |
| Molecular Formula | C39H62O14 |
| Exact Mass | 754.413957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xgp4iwYoVD |
|---|---|
| Name | (25R)-6-ALPHA-HYDROXY-5-ALPHA-SPIROSTAN-3-ONE-6-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O14 |
| InChI | InChI=1S/C39H62O14/c1-17-5-10-39(48-16-17)18(2)28-25(53-39)13-22-20-12-24(23-11-19(42)6-8-37(23,3)21(20)7-9-38(22,28)4)49-36-33(47)34(30(44)27(15-41)51-36)52-35-32(46)31(45)29(43)26(14-40)50-35/h17-18,20-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-/m1/s1 |
| InChIKey | OTPOGAZHSQHELL-UGGFVVRFSA-N |
| Literature Reference Author | Y.MIMAKI,Y.SASHIDA,K.KAWASHIMA |
| Literature Reference Citation | PHYTOCHEM.,30,3721(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)80098-L |
| Molecular Weight | 754.913 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS26666 |