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5alpha,6alpha-epoxy-(22E,24R)-ergosta-8,22-diene-3beta,7beta-diol
SpectraBase Compound ID 9rPNUGr2FAW
InChI InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18-,19+,20-,21+,24-,25+,26-,27-,28+/m1/s1
InChIKey PCIZFQVDNDHRPP-JSOZGRMUSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hn8QQGIj5Tl
Name 5-ALPHA,6-ALPHA-EPOXY-(22E,24R)-ERGOSTA-8,22-DIENE-3-BETA,7-BETA-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18-,19+,20-,21+,24-,25+,26-,27-,28+/m1/s1
InChIKey PCIZFQVDNDHRPP-JSOZGRMUSA-N
Literature Reference Author Y.YAOITA,M.ENDO,Y.TANI,K.MACHIDA,K.AMEMIYA,K.FURUMURA,M.KIKU CHI
Literature Reference Citation CHEM.PHARM.BULL.,47,847(1999)
Literature Reference DOI 10.1248/cpb.47.847
Molecular Weight 428.656 g/mol
Solvent CDCl3
Source File Reference UWLU8061