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NUMERSTEROL-A

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NUMERSTEROL-A
SpectraBase Compound ID C99xErHOB74
InChI InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey CXPIFTPKWGXGCI-YMLDZVRYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jxf3JaoCUOV
Name 24-METHYLENECHOLESTANE-1-ALPHA,3-BETA,5-ALPHA,6-BETA-TETRAOL;NUMERSTERO-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
InChIKey CXPIFTPKWGXGCI-YMLDZVRYSA-N
Literature Reference Author C.B.RAO,C.SATYANARAYANA,D.S.RAO,D.V.RAO,E.FAHY,D.J.FAULKNER
Literature Reference Citation J.NAT.PROD.,56,2003(1993)
Literature Reference DOI 10.1021/np50101a024
Molecular Weight 448.687 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS5027