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17.beta.-Hydroxy-6-pentyl-4-nor-3,5-seco-5-androsten-3-oic acid, methyl ester

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17.beta.-Hydroxy-6-pentyl-4-nor-3,5-seco-5-androsten-3-oic acid, methyl ester
SpectraBase Compound ID 3lhAV9pEbHt
InChI InChI=1S/C24H40O3/c1-5-6-7-8-17-9-10-18-19-11-12-21(25)24(19,3)15-13-20(18)23(17,2)16-14-22(26)27-4/h9,18-21,25H,5-8,10-16H2,1-4H3
InChIKey YOTPPBJBXUOLJP-UHFFFAOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jm2AAYOvdBn
Name 17.beta.-Hydroxy-6-pentyl-4-nor-3,5-seco-5-androsten-3-oic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.297745145 u
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-5-6-7-8-17-9-10-18-19-11-12-21(25)24(19,3)15-13-20(18)23(17,2)16-14-22(26)27-4/h9,18-21,25H,5-8,10-16H2,1-4H3
InChIKey YOTPPBJBXUOLJP-UHFFFAOYSA-N
Molecular Weight 376.581 g/mol
SMILES C(CCC1(C(=CCC2C1CCC1(C2CCC1O)C)CCCCC)C)(OC)=O