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DINOCHROME-B;(3S,5R,6R,3'S,5'R,8'S)-5',8'-EPOXY-6,7-DIDEHYDRO-5,6,5',8'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL-3-O-ACETATE

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DINOCHROME-B;(3S,5R,6R,3'S,5'R,8'S)-5',8'-EPOXY-6,7-DIDEHYDRO-5,6,5',8'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL-3-O-ACETATE
SpectraBase Compound ID 1S5AGAvdpj3
InChI InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35+,36-,41-,42+/m0/s1
InChIKey KXMXJSVCINTGDB-VLTNDYGBSA-N
Mol Weight 642.9 g/mol
Molecular Formula C42H58O5
Exact Mass 642.428425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79Q7kGZOdiW
Name DINOCHROME-B;(3S,5R,6R,3'S,5'R,8'S)-5',8'-EPOXY-6,7-DIDEHYDRO-5,6,5',8'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL-3-O-ACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H58O5
InChI InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35+,36-,41-,42+/m0/s1
InChIKey KXMXJSVCINTGDB-VLTNDYGBSA-N
Literature Reference Author T.MAOKA,M.TSUSHIMA,H.NISHINO
Literature Reference Citation CHEM.PHARM.BULL.,50,1630(2002)
Literature Reference DOI 10.1248/cpb.50.1630
Molecular Weight 642.920 g/mol
Solvent CDCl3
Source File Reference UWMS20317