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3-ALPHA,17,19-TRIHYDROXY-SPONGIA-13(16),14-DIEN-2-ONE;SPONGIATRIOL
SpectraBase Compound ID 2xZtSsiXNnN
InChI InChI=1S/C20H28O5/c1-18-7-14(23)17(24)19(2,10-21)15(18)5-6-20(11-22)13-9-25-8-12(13)3-4-16(18)20/h8-9,15-17,21-22,24H,3-7,10-11H2,1-2H3/t15-,16-,17-,18+,19-,20-/m1/s1
InChIKey MCWBEUKGVFWARY-IGOIZDSHSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jgsk3uM1eMC
Name 3-ALPHA,17,19-TRIHYDROXY-SPONGIA-13(16),14-DIEN-2-ONE;SPONGIATRIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-18-7-14(23)17(24)19(2,10-21)15(18)5-6-20(11-22)13-9-25-8-12(13)3-4-16(18)20/h8-9,15-17,21-22,24H,3-7,10-11H2,1-2H3/t15-,16-,17-,18+,19-,20-/m1/s1
InChIKey MCWBEUKGVFWARY-IGOIZDSHSA-N
Literature Reference Author R.KAZLAUSKAS,P.T.MURPHY,R.J.WELLS,K.NOACK,W.E.OBERHAENSLI,P. SCHOENHOLZER
Literature Reference Citation AUSTR.J.CHEM.,32,867(1979)
Literature Reference DOI 10.1071/ch9790867
Molecular Weight 348.439 g/mol
Solvent DMSO-D6
Source File Reference UNIW22559