| SpectraBase Spectrum ID |
19BH3o1apEy |
| Name |
20Beta,21-dihydroxy-5alpha-pregnan-3-one, cyclic carbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-21-9-7-14(23)11-13(21)3-4-15-16-5-6-18(19-12-25-20(24)26-19)22(16,2)10-8-17(15)21/h13,15-19H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,19+,21-,22-/m0/s1 |
| InChIKey |
AHEBWQYTFFYUBQ-DJNYDVTDSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])[H])([C@@]1(OC(OC1)=O)[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.951584 |
