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5-BETA-MOLANOL;5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,11-ALPHA,26,27-PENTOL
SpectraBase Compound ID HFwFd0HBB2z
InChI InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-24-22(31)12-18-11-19(30)9-10-26(18,2)25(24)23(32)13-27(20,21)3/h16-25,28-32H,4-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey ZYSXAUQXWILHHS-POTDORSXSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H48O5
Exact Mass 452.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUWkW6tqlYZ
Name 5-BETA-MOLANOL;5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,11-ALPHA,26,27-PENTOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O5
InChI InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-24-22(31)12-18-11-19(30)9-10-26(18,2)25(24)23(32)13-27(20,21)3/h16-25,28-32H,4-15H2,1-3H3/t16-,18+,19-,20-,21+,22-,23-,24-,25+,26+,27-/m1/s1
InChIKey ZYSXAUQXWILHHS-POTDORSXSA-N
Literature Reference Author H.ISHIDA,H.NAKAYASU,H.MIYAMOTO,N.NUKAYA,K.TSUJI
Literature Reference Citation CHEM.PHARM.BULL.,46,12(1998)
Literature Reference DOI 10.1248/cpb.46.12
Molecular Weight 452.675 g/mol
Solvent CD3OD
Source File Reference UWMS6112