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Spiro(1,3-dioxolane)-2,3'-(5'-androsten-16'-ol), tbdms derivative
SpectraBase Compound ID 8gxsiDoHs7Q
InChI InChI=1S/C27H46O3Si/c1-24(2,3)31(6,7)30-23-11-10-21-20-9-8-19-18-27(28-16-17-29-27)15-14-25(19,4)22(20)12-13-26(21,23)5/h8,20-23H,9-18H2,1-7H3
InChIKey WBHOCOREEJJTKG-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C27H46O3Si
Exact Mass 446.321622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4Y72NTKPVK
Name Spiro(1,3-dioxolane)-2,3'-(5'-androsten-16'-ol), tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 446.321621873 u
Formula C27H46O3Si
InChI InChI=1S/C27H46O3Si/c1-24(2,3)31(6,7)30-23-11-10-21-20-9-8-19-18-27(28-16-17-29-27)15-14-25(19,4)22(20)12-13-26(21,23)5/h8,20-23H,9-18H2,1-7H3
InChIKey WBHOCOREEJJTKG-UHFFFAOYSA-N
Molecular Weight 446.747 g/mol
SMILES CC(C)(C)[Si](OC1C2(C)C(CC1)C1C(C3(C)CCC4(CC3=CC1)OCCO4)CC2)(C)C