| SpectraBase Compound ID | BaktKW3xhR9 |
|---|---|
| InChI | InChI=1S/C29H44O7/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-29(18,4)22(20)11-13-28(17,21)3)35-27-26(33)25(32)24(31)23(36-27)15-34-16(2)30/h5-6,17,19-27,31-33H,1,7-15H2,2-4H3/t17-,19-,20?,21?,22?,23+,24-,25-,26+,27?,28+,29-/m0/s1 |
| InChIKey | JIBIIFHBCODWJY-AMUUZVHUSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C29H44O7 |
| Exact Mass | 504.308704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Qoo2ZbQwhP |
|---|---|
| Name | 6'-O Acetyl-3.beta.-pregna-5,20-dienyl-.beta.-galactopyranoside |
| Alternate Name(s) | (3beta)-pregna-5,20-dien-3-yl 6-O-acetylhexopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O7 |
| InChI | InChI=1S/C29H44O7/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-29(18,4)22(20)11-13-28(17,21)3)35-27-26(33)25(32)24(31)23(36-27)15-34-16(2)30/h5-6,17,19-27,31-33H,1,7-15H2,2-4H3/t17-,19-,20?,21?,22?,23+,24-,25-,26+,27?,28+,29-/m0/s1 |
| InChIKey | JIBIIFHBCODWJY-AMUUZVHUSA-N |
| Molecular Weight | 504.664 g/mol |
| SMILES | O[C@]1([C@]([C@](OC([C@@]1(O)[H])O[C@]1(CC[C@]2(C(=CCC3C4CC[C@@]([C@]4(CCC23)C)(C=C)[H])C1)C)[H])(COC(=O)C)[H])(O)[H])[H] |
| SPLASH | splash10-001i-0390000000-cde82875ea7bc6842ff9 |
| Source of Spectrum | O1-63-112-3 |
| Wiley ID | 1592562 |