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Hecogenin acetate

View entire compound with spectra: 5 NMR, 5 FTIR, and 1 Raman

Hecogenin acetate
SpectraBase Compound ID FaF0w6iXsHO
InChI InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1
InChIKey CVKZWRTYHCDWTE-RSEFXUKDSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qryb1BMwMy
Name (25R)-3beta-HYDROXY-5alpha-SPIROSTAN-12-ONE, ACETATE
Source of Sample E. Merck AG, Darmstadt, Germany
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1
InChIKey CVKZWRTYHCDWTE-RSEFXUKDSA-N
Molecular Weight 472.67
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 5A-SPIROSTAN-12-ONE, 3B-HYDROXY-, ACETATE, /25R/-, HECOGENIN, ACETATE