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Chemical Product CAS:32450-25-2Pyrano[3,2-a]xanthene-8,11-dione,9-[(1S,2R,3S)-2-(acetyloxy)-1,3-dimethylpentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-,(3R,4aR,6aR,12S,12aS,12bR)


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  • Name:

  • Molecular Formula:

    C30H44 O8
  • Molecular Weight:

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Pyrano[3,2-a]xanthene-8,11-dione,9-[(1S,2R,3S ( CASNO:32450-25-2 )

Identification and Related Records
CAS Registry number:
Pyrano[3,2-a]xanthene-8,11-dione, 1,2,3,4aa,5,6,6a,12,12aa,12b-decahydro-12a-hydroxy-9-(2-hydroxy-1,3-dimethylpentyl)-3b-(1-hydroxy-1-methylethyl)-6ab,12bb-dimethyl-, 9-acetate, stereoisomer (8CI)
Cochiloquinone A
Molecular Formula:
C30H44 O8
Molecular Weight:
Canonical SMILES:
Isomers smiles:
Chemical and Physical Properties
Yellow solid.
1.21 g/cm3
Boiling Point:
638.8 °C at 760 mmHg
Refractive Index:
Flash Point:
200.1 °C
Soluble in 100% ethanol, methanol, dimethyl formamide or DMSO.
Soluble in 100% ethanol, methanol, dimethyl formamide or DMSO.
Computed Properties:
Molecular Weight:532.66556 [g/mol]
Molecular Formula:C30H44O8
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:7
Tautomer Count:7
Exact Mass:532.303618
MonoIsotopic Mass:532.303618
Topological Polar Surface Area:119
Heavy Atom Count:38
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:4
Effective Rotor Count:8.6
Conformer Sampling RMSD:1
CID Conformer Count:11
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