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17.beta.-Hydroxyandrostan-3-one-17-hexahydrobenzoate

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17.beta.-Hydroxyandrostan-3-one-17-hexahydrobenzoate
SpectraBase Compound ID 6imS37hvEqv
InChI InChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
InChIKey YOVFVQWNQMEMNF-LVYWIKMTSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EneavlPNw8O
Name 17.beta.-Hydroxyandrostan-3-one-17-hexahydrobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.297745145 u
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
InChIKey YOVFVQWNQMEMNF-LVYWIKMTSA-N
Molecular Weight 400.603 g/mol
SMILES C1(C[C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@@](OC(=O)C1CCCCC1)(CC2)[H])C)[H])[H])[H])C)[H])=O