| SpectraBase Spectrum ID |
HRSfbKU5yGM |
| Name |
Pregn-5-en-20-one, 3,21-bis(acetyloxy)-, (3.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.256274254 u |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,18-22H,6-14H2,1-4H3/t18?,19-,20-,21-,22+,24-,25-/m0/s1 |
| InChIKey |
UVOTXHBDYFWIBF-XASMCZEVSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
C(=O)(C)OCC(=O)[C@@]1([C@@]2(C)CC[C@@]3([C@@]4(C)CCC(OC(=O)C)CC4=CC[C@]3([C@]2([H])CC1)[H])[H])[H] |
