Cas no 29621-75-8 (Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-)

Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)- structure
29621-75-8 structure
Product Name:Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-
CAS No:29621-75-8
MF:C30H50O2
MW:442.716809749603
CID:286540
PubChem ID:14105790
Update Time:2025-04-19

Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)- Chemical and Physical Properties

Names and Identifiers

    • Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-
    • Friedelin 3,4-lactone
    • 3,4-secofriedelan-3 [*] 4-olide
    • 3,4-seco-friedelan-4,3-olide
    • 3a-oxa-3a-homofriedelan-3-one
    • 4-Oxa-A-homo-friedelan-3-on
    • 4-oxa-A-homo-friedelan-3-one
    • Friedelalacton
    • Friedelolactone
    • (1S,2R,5R,10R,11S,14R,15S,20R,21S)-2,5,8,8,11,14,20,21-octamethyl-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosan-18-one
    • CHEBI:70417
    • Q27138755
    • 29621-75-8
    • AKOS040761751
    • Friedelin-3,4-Lactone
    • CS-0159172
    • (5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-octamethylicosahydrochryseno[2,1-c]oxepin-3(2H)-one
    • CHEMBL1641908
    • HY-N9292
    • (5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-octamethylicosahydrochryseno(2,1-c)oxepin-3(2H)-one
    • (1S,2R,5R,10R,11S,14R,15S,20R,21S)-2,5,8,8,11,14,20,21-octamethyl-19-oxapentacyclo(12.9.0.02,11.05,10.015,21)tricosan-18-one
    • Inchi: 1S/C30H50O2/c1-20-27(5)12-11-22-28(6,21(27)9-10-24(31)32-20)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
    • InChI Key: UYYLYVBSUPHXSX-PFTFKKIYSA-N
    • SMILES: O1C(CC[C@@H]2[C@@](C)([C@H]1C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 442.38100
  • Monoisotopic Mass: 442.381080833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 801
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 469.1±13.0 °C at 760 mmHg
  • Flash Point: 198.6±17.2 °C
  • PSA: 26.30000
  • LogP: 8.18350
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)- Security Information

Chryseno[2,1-c]oxepin-3(2H)-one,eicosahydro-5,5a,7b,9a,12,12,13b,15a-octamethyl-,(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)- Pricemore >>

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