Cochlioquinone A

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Catalog Number ACM32450252
CAS 32450-25-2
Structure {[CurrentData.Name]}
IUPAC Name [(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
Synonyms Cochliochinon A
Molecular Weight 532.7
Molecular Formula C30H44O8
Canonical SMILES CCC(C)C(C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2O)(CCC(O4)C(C)(C)O)C)C)OC(=O)C
Inchi InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
InChIKey UWSYUCZPPVXEKW-MHUJPXPPSA-N
Boiling Point 638.8 ºC at 760 mmHg
Flash Point 200.1 ºC
Purity 99%
Density 1.21 g/cm3
Appearance Lyophilized
Refractive Index 1.553

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