SpectraBase Compound ID | Ags32WMHUtz |
---|---|
InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h10,12,16-21H,5-9,11,13H2,1-4H3/t16-,17-,18?,19-,20?,21?,22+,23-/m1/s1 |
InChIKey | KCAUMDZVEARSJW-PMJLKRMJSA-N |
Mol Weight | 358.5 g/mol |
Molecular Formula | C23H34O3 |
Exact Mass | 358.250795 g/mol |
SpectraBase Spectrum ID | CgNeAHNK6H9 |
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Name | 3-.alpha.-Acetoxy-5.beta.-H-11-pregnene-20-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 358.250794952 u |
Formula | C23H34O3 |
InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h10,12,16-21H,5-9,11,13H2,1-4H3/t16-,17-,18?,19-,20?,21?,22+,23-/m1/s1 |
InChIKey | KCAUMDZVEARSJW-PMJLKRMJSA-N |
Molecular Weight | 358.522 g/mol |
SMILES | [C@]12(C(C3C([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])CC3)C)C=C1)CC[C@@]2(C(=O)C)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943548 |