SpectraBase Compound ID | 9qx3RXPIdVT |
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InChI | InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,14,18-19,22H,4,6-11H2,1-2H3/t14?,18-,19+,20-/m1/s1 |
InChIKey | GSGZKAIMMHWAPC-VWESTFDSSA-N |
Mol Weight | 298.43 g/mol |
Molecular Formula | C20H26O2 |
Exact Mass | 298.19328 g/mol |
SpectraBase Spectrum ID | B9u2bRXr8PZ |
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Name | Neopregnenolone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 298.193280075 u |
Formula | C20H26O2 |
InChI | InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h3,5,14,18-19,22H,4,6-11H2,1-2H3/t14?,18-,19+,20-/m1/s1 |
InChIKey | GSGZKAIMMHWAPC-VWESTFDSSA-N |
SMILES | C1=CC2=C(C3=C1CC(O)CC3)CC[C@]1([C@]2(CC[C@@]1(C(C)=O)[H])[H])C |