| SpectraBase Spectrum ID |
KIQVPOkyV0H |
| Name |
Pregna-1,4,6-triene-3,20-dione, cyclic 20-(1,2-ethanediyl acetal) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.219494823 u |
| Formula |
C23H30O3 |
| InChI |
InChI=1S/C23H30O3/c1-21-10-8-16(24)14-15(21)4-5-17-18-6-7-20(23(3)25-12-13-26-23)22(18,2)11-9-19(17)21/h4-5,8,10,14,17-20H,6-7,9,11-13H2,1-3H3/t17-,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey |
ZUQIZTPECHCSBE-WLNPFYQQSA-N |
| Molecular Weight |
354.490 g/mol |
| SMILES |
[C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)(C1(OCCO1)C)[H])[H])[H])=CC(C=C2)=O)C |
