Cochlioquinone A

• CAS: 32450-25-2
• Catalog Number: ACM32450252
• Category: Other Products
• Molecular Weight: 532.7
• Molecular Formula: C30H44O8
• Synonyms: Cochliochinon A
• 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
• 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
• InChI Key: UWSYUCZPPVXEKW-MHUJPXPPSA-N
• Boiling Point: 638.8 ºC at 760 mmHg
• Flash Point: 200.1 ºC
• Density: 1.21 g/cm3
• Appearance: Lyophilized
• Exact Mass: 532.30400
• H-Bond Acceptor: 8
• H-Bond Donor: 2
• Refractive Index: 1.553