| SpectraBase Compound ID | 3NMtmDwxbDx |
|---|---|
| InChI | InChI=1S/C33H52O9/c1-16(15-40-31-30(39)29(38)28(37)26(14-34)42-31)5-6-24-17(2)27-25(41-24)13-21-19-12-23(36)22-11-18(35)7-9-32(22,3)20(19)8-10-33(21,27)4/h16,18-22,25-31,34-35,37-39H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22-,25+,26-,27+,28-,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | PFDGFBVNDFOPOT-PGZPVGLMSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C33H52O9 |
| Exact Mass | 592.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8LYcQcOjpz |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSIDE-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROSTAN-20(22)-EN-6-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O9 |
| InChI | InChI=1S/C33H52O9/c1-16(15-40-31-30(39)29(38)28(37)26(14-34)42-31)5-6-24-17(2)27-25(41-24)13-21-19-12-23(36)22-11-18(35)7-9-32(22,3)20(19)8-10-33(21,27)4/h16,18-22,25-31,34-35,37-39H,5-15H2,1-4H3/t16-,18+,19-,20+,21+,22-,25+,26-,27+,28-,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | PFDGFBVNDFOPOT-PGZPVGLMSA-N |
| Literature Reference Author | J.XU,S.FENG,Q.WANG,Y.CAO,M.SUN,C.ZHANG |
| Literature Reference Citation | MOLECULES,19,20975(2014) |
| Literature Reference DOI | 10.3390/molecules191220975 |
| Molecular Weight | 592.770 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU81652 |