| SpectraBase Spectrum ID |
5HyPVoailBP |
| Name |
Androst-4-ene-6-acetic acid, 17-hydroxy-3-oxo-, methyl ester, (6.beta.,17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-21-8-6-14(23)12-18(21)13(11-20(25)26-3)10-15-16-4-5-19(24)22(16,2)9-7-17(15)21/h12-13,15-17,19,24H,4-11H2,1-3H3/t13-,15-,16-,17-,19-,21+,22-/m0/s1 |
| InChIKey |
VZUAABWHJGHTDU-VBVQMDFDSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
[C@]12(C([C@](CC(=O)OC)(C[C@@]3([C@@]2(CC[C@@]2([C@@](O)(CC[C@@]32[H])[H])C)[H])[H])[H])=CC(CC1)=O)C |
