| SpectraBase Spectrum ID |
3I00NQeWZFn |
| Name |
Androst-5-ene-3,17-diol, 3-acetate 17-benzoate, (3.beta.,17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.261359635 u |
| Formula |
C28H36O4 |
| InChI |
InChI=1S/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3/t21?,22-,23-,24-,25?,27-,28-/m0/s1 |
| InChIKey |
JVRUDYNTKOCRNP-GHFVCZPUSA-N |
| Molecular Weight |
436.592 g/mol |
| SMILES |
C1=CC=CC=C1C(=O)OC1[C@@]2(C)CC[C@@]3([C@@]4(C)CCC(OC(=O)C)CC4=CC[C@]3([C@]2([H])CC1)[H])[H] |
