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Neopregnenolone
SpectraBase Compound ID 9qx3RXPIdVT
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9u2bRXr8PZ
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