Cas no 76-80-2 (Tephrosin)

Tephrosin structure
Tephrosin structure
Product Name:Tephrosin
CAS No:76-80-2
MF:C23H22O7
MW:410.416587352753
MDL:MFCD00238693
CID:837173
PubChem ID:114909
Update Time:2025-04-19

Tephrosin Chemical and Physical Properties

Names and Identifiers

    • 3H-Bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7- (7aH)-one,13,13a-dihydro-7a-hydroxy-9,10- dimethoxy-3,3-dimethyl-,(7aR,13aR)-
    • 3H-Bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7- (7aH)-one,13,13a-dihydro-7a-hydroxy-9,10- dimethox...
    • Tephrosin
    • Deguelinol I
    • Hydroxydeguelin
    • [ "" ]
    • (7aR,13aR)-13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one
    • "Tephrosin
    • ConMedNP.1743
    • CHEBI:9442
    • 9C081V83CC
    • CCRIS 7115
    • HY-N1166
    • 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR-cis)-
    • DTXSID20878627
    • SCHEMBL766277
    • CS-0016457
    • 76-80-2
    • (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
    • (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one
    • Deguelinol I;Hydroxydeguelin
    • Q7701343
    • 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR,13aR)-
    • TEPHROSIN [MI]
    • MS-27072
    • Tephrosin, >=95% (LC/MS-ELSD)
    • (-)-TEPHROSIN
    • UNII-9C081V83CC
    • (7aR,13aR)-7a-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2,3-c:6,5-f']dichromen-7(7aH)-one
    • AKOS040740204
    • CHEMBL241806
    • MEGxp0_001258
    • BDBM50505206
    • LMPK12060047
    • DTXCID701016671
    • (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno(3,4-b)pyrano(2,3-h)chromen-7(7aH)-one
    • (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo(12.8.0.03,12.04,9.015,20)docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
    • DA-58407
    • G12541
    • MDL: MFCD00238693
    • Inchi: 1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
    • InChI Key: AQBZCCQCDWNNJQ-AUSIDOKSSA-N
    • SMILES: O1C2C3C=CC(C)(C)OC=3C=CC=2C([C@]2(C3C=C(C(=CC=3OC[C@@H]12)OC)OC)O)=O

Computed Properties

  • Exact Mass: 410.13700
  • Monoisotopic Mass: 410.13655304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 720
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 83.4?2

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.2284 (rough estimate)
  • Melting Point: 198° (218-220°)
  • Boiling Point: 450.42°C (rough estimate)
  • Refractive Index: 1.5300 (estimate)
  • PSA: 83.45000
  • LogP: 3.11190

Tephrosin Security Information

  • Hazardous Material transportation number:UN 3077 9 / PGIII
  • Hazard Category Code: 50
  • Safety Instruction: 61
  • Hazardous Material Identification: N

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