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3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-(24S)-ERGOST-7-EN-6-ONE
SpectraBase Compound ID 2gNQ6QVvoX
InChI InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22+,25-,26-,27-,28+/m1/s1
InChIKey WNCDXWLLIJDSNA-YMVXILQISA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Q9C2O6hfj6
Name 3-BETA,5-ALPHA,9-ALPHA-TRIHYDROXY-(24S)-ERGOST-7-EN-6-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22+,25-,26-,27-,28+/m1/s1
InChIKey WNCDXWLLIJDSNA-YMVXILQISA-N
Literature Reference Author Y.YAOITA,K.ANEMIYA,H.OHNUMA,K.FURUMURA,A.MASAKI,T.MATSUKI,M. KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,46,944(1998)
Literature Reference DOI 10.1248/cpb.46.944
Molecular Weight 446.671 g/mol
Solvent C5D5N
Source File Reference UWMS6474