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SCULPONEATIN-O;17-PHENYLACETOXY-ENT-KAURANE-7-ALPHA-16-BETA-DIOL
SpectraBase Compound ID I3O84cmHoGJ
InChI InChI=1S/C28H40O4/c1-25(2)12-7-13-26(3)21-11-10-20-16-27(21,23(29)15-22(25)26)17-28(20,31)18-32-24(30)14-19-8-5-4-6-9-19/h4-6,8-9,20-23,29,31H,7,10-18H2,1-3H3/t20-,21+,22-,23+,26+,27-,28+/m1/s1
InChIKey RQZFFMTZMGJLHA-ZXUQJNMHSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBY0eZCNz9T
Name SCULPONEATIN-O;17-PHENYLACETOXY-ENT-KAURANE-7-ALPHA-16-BETA-DIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-25(2)12-7-13-26(3)21-11-10-20-16-27(21,23(29)15-22(25)26)17-28(20,31)18-32-24(30)14-19-8-5-4-6-9-19/h4-6,8-9,20-23,29,31H,7,10-18H2,1-3H3/t20-,21+,22-,23+,26+,27-,28+/m1/s1
InChIKey RQZFFMTZMGJLHA-ZXUQJNMHSA-N
Literature Reference Author F.WANG,X.M.LI,J.K.LIU
Literature Reference Citation CHEM.PHARM.BULL.,57,525(2009)
Literature Reference DOI 10.1248/cpb.57.525
Molecular Weight 440.623 g/mol
Sample ID 2315
Solvent CDCl3