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5-ALPHA,9-ALPHA-EPIDIOXY-3-BETA-HYDROXY-(22E,24R)-ERGOSTA-7,22-DIEN-6-ONE
SpectraBase Compound ID JS40mMA5iD4
InChI InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,29H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,25-,26-,27-,28+/m1/s1
InChIKey VXKGRYVCJKAYFC-XDMPUHBSSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7phD3HcGDvf
Name 5-ALPHA,9-ALPHA-EPIDIOXY-3-BETA-HYDROXY-(22E,24R)-ERGOSTA-7,22-DIEN-6-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,29H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,21-,22+,25-,26-,27-,28+/m1/s1
InChIKey VXKGRYVCJKAYFC-XDMPUHBSSA-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 442.639 g/mol
Solvent C6D6
Source File Reference UWMS6477