Cas no 14858-07-2 ((5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one)

(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one structure
14858-07-2 structure
Product Name:(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS No:14858-07-2
MF:C28H44O3
MW:428.647169113159
CID:98030
PubChem ID:71307325
Update Time:2025-04-18

(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dihydroxyergosta-7,22-dien-6-one
    • Ergosta-7,22-dien-6-one,3,5-dihydroxy-, (3b,5a,22E)-
    • (22E,24R)-3b,5a-Dihydroxyergosta-7,22-dien-6-one
    • 3b,5a-Dihydroxy-(22E)-ergosta-7,22-dien-6-one
    • 3b,5a-Dihydroxy(22E,24R)-ergosta-7,22-dien-6-one
    • 5a-Ergosta-7,22-dien-6-one, 3b,5-dihydroxy- (8CI)
    • 5a-Ergosta-7,22-diene-3b,5a-diol-6-one
    • 5alpha-Ergosta-7,22-diene-3beta,5beta-diol-6-one
    • 6-Dehydrocerevisterol
    • [ "" ]
    • (22E,24R)-3beta,5alpha-dihydroxyergosta-7,22-dien-6-one
    • 3β,5α-Dihydroxyergosta-7,22-dien-6-one
    • (5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-
    • (9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • Ergosta-7,22-dien-6-one,3,5-dihydroxy-,(3b,5a,22e)-
    • CHEBI:183561
    • 14858-07-2
    • 3??,5??-Dihydroxyergosta-7,22-dien-6-one
    • DTXSID101237221
    • Q27138677
    • 3beta,5alpha-dihydroxy-(22e,24r)-ergosta-7,22-dien-6-one
    • CHEBI:70336
    • 3beta,5alpha-Dihydroxy(22E,24R)-ergosta-7,22-dien-6-one
    • FS-10395
    • AKOS040762528
    • Ergosta-7,22-dien-6-one, 3,5-dihydroxy-, (3beta,5alpha,22E)-
    • (3S,5R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • (3beta,5alpha,22E)-3,5-dihydroxyergosta-7,22-dien-6-one
    • CHEMBL4751516
    • (5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
    • Inchi： 1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20?,22+,23-,24-,26+,27+,28?/m0/s1
    • InChI Key： KAIVGEVOBNIWLR-NSMOMACISA-N
    • SMILES： OC12C(C=C3[C@H](CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@H]43)[C@@]1(C)CCC(C2)O)=O

Computed Properties

  • Exact Mass: 428.32900
  • Monoisotopic Mass: 428.32904526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 781
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5
  • XLogP3: 5.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 550.6±50.0 °C at 760 mmHg
  • Flash Point: 300.8±26.6 °C
  • PSA: 57.53000
  • LogP: 5.70460
  • Vapor Pressure: 0.0±3.4 mmHg at 25°C

(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Security Information

(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Pricemore >>

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(5R,10R,13R)-17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Related Literature

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