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2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-one

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2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-one
SpectraBase Compound ID IZgoy0HMITV
InChI InChI=1S/C25H38O4/c1-14-20(6-7-22(27)28)29-21-13-19-17-5-4-15-12-16(26)8-10-24(15,2)18(17)9-11-25(19,3)23(14)21/h14-15,17-21,23H,4-13H2,1-3H3,(H,27,28)
InChIKey LOJFHDKWAHBTAC-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PIr1JXUWKy
Name 2-[2-Carboxyethyl]-3-methyl-tetrahydrofurano[4,5-A]androstan-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-14-20(6-7-22(27)28)29-21-13-19-17-5-4-15-12-16(26)8-10-24(15,2)18(17)9-11-25(19,3)23(14)21/h14-15,17-21,23H,4-13H2,1-3H3,(H,27,28)
InChIKey LOJFHDKWAHBTAC-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(=O)O)C)C)=O