Cochlioquinone B

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Catalog Number ACM32450263
CAS 32450-26-3
Structure {[CurrentData.Name]}
IUPAC Name (3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione
Synonyms Cochliochinon B
Molecular Weight 472.6
Molecular Formula C28H40O6
Canonical SMILES CCC(C)C(=O)C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2)(CCC(O4)C(C)(C)O)C)C
Inchi InChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20+,21+,22+,27+,28+/m0/s1
InChIKey NTPNSKLZWVYKGK-WWURSIHSSA-N
Boiling Point 579.4 ºC at 760 mmHg
Flash Point 184.2 ºC
Purity 99%
Density 1.17 g/cm3
Appearance Lyophilized
Refractive Index 1.549

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