![12-alpha-Hydroxy-5',5'-dimethylspiro-[androsta-1,4-diene-17,2'-[1,3]-dioxan]-3-one](/api/spectrum/Lel7wDMO5hx/structure.png?h=300&w=458 "12-alpha-Hydroxy-5',5'-dimethylspiro-[androsta-1,4-diene-17,2'-[1,3]-dioxan]-3-one")
| SpectraBase Compound ID | Fvsi2FYmDfy |
|---|---|
| InChI | InChI=1S/C24H34O4/c1-21(2)13-27-24(28-14-21)10-8-18-17-6-5-15-11-16(25)7-9-22(15,3)19(17)12-20(26)23(18,24)4/h7,9,11,17-20,26H,5-6,8,10,12-14H2,1-4H3/t17-,18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | YCISWFOYXKTNBP-AEZRXPCCSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C24H34O4 |
| Exact Mass | 386.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lel7wDMO5hx |
|---|---|
| Name | 12-alpha-Hydroxy-5',5'-dimethylspiro-[androsta-1,4-diene-17,2'-[1,3]-dioxan]-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.245709571 u |
| Formula | C24H34O4 |
| InChI | InChI=1S/C24H34O4/c1-21(2)13-27-24(28-14-21)10-8-18-17-6-5-15-11-16(25)7-9-22(15,3)19(17)12-20(26)23(18,24)4/h7,9,11,17-20,26H,5-6,8,10,12-14H2,1-4H3/t17-,18-,19-,20-,22-,23+/m0/s1 |
| InChIKey | YCISWFOYXKTNBP-AEZRXPCCSA-N |
| Molecular Weight | 386.532 g/mol |
| SMILES | [C@@]1(O)(C[C@@]2([C@]3(C=CC(C=C3CC[C@]2([C@]2([C@@]1(C)C1(OCC(C)(C)CO1)CC2)[H])[H])=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809651 |