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INFLEXARABDONIN-K;ENT-3-ALPHA-ACETOXY-7-BETA,11-ALPHA-DIHYDROXY-KAUR-16-ENE-15-ONE
SpectraBase Compound ID 1SEJD44ttvo
InChI InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)7-6-17(27-12(2)23)20(3,4)15(21)9-16(25)22(18,10-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17+,18+,21-,22+/m1/s1
InChIKey IPSPEZXNKZLNGQ-XPVQFEQOSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mxbDt9fjY0
Name INFLEXARABDONIN-K;ENT-3-ALPHA-ACETOXY-7-BETA,11-ALPHA-DIHYDROXY-KAUR-16-ENE-15-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-11-13-8-14(24)18-21(5)7-6-17(27-12(2)23)20(3,4)15(21)9-16(25)22(18,10-13)19(11)26/h13-18,24-25H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17+,18+,21-,22+/m1/s1
InChIKey IPSPEZXNKZLNGQ-XPVQFEQOSA-N
Literature Reference Author Y.TAKEDA,T.ICHIHARA,K.YAMASAKI,H.OTSUKA,H.UTSUMI
Literature Reference Citation PHYTOCHEM.,32,145(1993)
Literature Reference DOI 10.1016/0031-9422(92)80121-T
Molecular Weight 376.493 g/mol
Solvent C5D5N
Source File Reference UWMS3561