Anthrone, 4a,9a-epoxy-3-(2,3-epoxybutyryl)-1,2,3,4,4a,9a-hexahydro-1,3,4,5,10-pentahydroxy-2-methyl-

Base Information

• Chemical Name: Anthrone, 4a,9a-epoxy-3-(2,3-epoxybutyryl)-1,2,3,4,4a,9a-hexahydro-1,3,4,5,10-pentahydroxy-2-methyl-
• CAS No.: 18700-78-2
• Molecular Formula: C19H20O9
• Molecular Weight: 0
• UNII: X5Y33QX913
• Mol file: 18700-78-2.mol

Synonyms:X5Y33QX913;18700-78-2;(1R,9R,10S,11S,12S,13R,14R)-7,9,11,12,14-pentahydroxy-13-methyl-12-(3-methyloxirane-2-carbonyl)-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-2-one;1,2,3,4-Tetrahydro-1,3,4,5,10-pentahydroxy-2-methyl-3-[(3-methyloxiranyl)carbonyl]-4a,9a-epoxyanthra;NSC-65380;CERVICARCIN [MI];UNII-X5Y33QX913;SCHEMBL16431085;NSC 65380;BRN 1335263;5-19-07-00137 (Beilstein Handbook Reference);Q27293588;4A,9A-EPOXYANTHRACEN-9(10H)-ONE, 1,2,3,4-TETRAHYDRO-1,3,4,5,10-PENTAHYDROXY-2-METHYL-3-((3-METHYL-2-OXIRANYL)CARBONYL)-;4a,9a-Epoxyanthracen-9(10H)-one, 1,2,3,4-tetrahydro-1,3,4,5,10-pentahydroxy-2-methyl-3-((3-methyloxiranyl)carbonyl)-;Anthrone, 4a,9a-epoxy-3-(2,3-epoxybutyryl)-1,2,3,4,4a,9a-hexahydro-1,3,4,5,10-pentahydroxy-2-methyl-;Anthrone, 4aalpha,9aalpha-epoxy-3beta-(2,3-epoxybutyryl)-1,2,3,4,4a,9aalpha-hexahydro-1alpha,3,4alpha,10alpha-tetrahydroxy-5-methoxy-2beta-methyl-

Chemical Property of Anthrone, 4a,9a-epoxy-3-(2,3-epoxybutyryl)-1,2,3,4,4a,9a-hexahydro-1,3,4,5,10-pentahydroxy-2-methyl-

Chemical Property:

• Vapor Pressure: 9.25E-20mmHg at 25°C
• Melting Point: 205 °C
• Boiling Point: 686°C at 760 mmHg
• PKA: 9.0(at 25℃)
• Flash Point: 250.2°C
• PSA: 160.35000
• Density: 1.74g/cm³
• LogP: -1.41130
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 392.11073221
• Heavy Atom Count: 28
• Complexity: 756

Purity/Quality:

95% ^*data from raw suppliers

Cervicarcin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@]23C(=O)C4=C([C@H]([C@]2(O3)[C@H]([C@@]1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O

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