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3,17.beta.-Di-tert-butoxy-4-propyl-3,4-seco-5.alpha.-androstan-6.alpha.-ol

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3,17.beta.-Di-tert-butoxy-4-propyl-3,4-seco-5.alpha.-androstan-6.alpha.-ol
SpectraBase Compound ID 6PhPTcnWMTA
InChI InChI=1S/C30H56O3/c1-10-11-13-24-25(31)20-21-22-14-15-26(33-28(5,6)7)30(22,9)18-16-23(21)29(24,8)17-12-19-32-27(2,3)4/h21-26,31H,10-20H2,1-9H3
InChIKey BZQBATIYCVMSFM-UHFFFAOYSA-N
Mol Weight 464.8 g/mol
Molecular Formula C30H56O3
Exact Mass 464.422946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76jBTGuqTmw
Name 3,17.beta.-di-Tert-butoxy-4-propyl-3,4-seco-5.alpha.-androstan-6.alpha.-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.422945660 u
Formula C30H56O3
InChI InChI=1S/C30H56O3/c1-10-11-13-24-25(31)20-21-22-14-15-26(33-28(5,6)7)30(22,9)18-16-23(21)29(24,8)17-12-19-32-27(2,3)4/h21-26,31H,10-20H2,1-9H3
InChIKey BZQBATIYCVMSFM-UHFFFAOYSA-N
Molecular Weight 464.775 g/mol
SMILES C(CCC1(C(CCCC)C(CC2C1CCC1(C2CCC1OC(C)(C)C)C)O)C)OC(C)(C)C