Cas no 113626-76-9 ((8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol)

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol structure
113626-76-9 structure
Product Name:(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
CAS No:113626-76-9
MF:C29H50O2
MW:430.706109523773
CID:98026
PubChem ID:10550610
Update Time:2025-04-18

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Chemical and Physical Properties

Names and Identifiers

    • Stigmast-4-ene-3,6-diol
    • Stigmast-4-ene-3β,6β-diol
    • Stigmast-4-ene-3,6-diol,(3b,6b)-
    • 3b,6b-Stigmast-4-en-3,6-diol
    • Stigmast-4-ene-3b,6b-diol
    • [ "" ]
    • Stigmast-4-ene-3beta,6beta-diol
    • AK104211
    • W2351
    • (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14
    • stigmast-4-en-3beta,6beta-diol
    • (3,6)-Stigmast-4-ene-3,6-diol; 3,6-Stigmast-4-en-3,6-diol
    • Stigmast-4-ene-3
    • CHEMBL487767
    • Stigmast-4-ene-3??,6??-diol
    • A-diol
    • BDBM50275561
    • A,6
    • (3S,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
    • HY-N1222
    • AKOS027250669
    • 113626-76-9
    • FS-10159
    • CS-0016609
    • B0005-189191
    • 2-(Benzoylmethyl)pyrimidine
    • Stigmast-4-ene-3EC,6EC-diol
    • AKOS032948629
    • CID 57525687
    • Stigmast-4-ene-3,6-diol, (3beta,6beta)-
    • (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
    • Inchi： 1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,27,30-31H,7-15,17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
    • InChI Key： OOUCIUZOGLWLAN-NDDUEHJASA-N
    • SMILES： O[C@H]1C2=C[C@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@H]3[C@@H]2C1)O

Computed Properties

  • Exact Mass: 430.38100
  • Monoisotopic Mass: 430.381080833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 668
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5
  • XLogP3: 8.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 536.2±38.0 °C at 760 mmHg
  • Flash Point: 218.9±21.4 °C
  • PSA: 40.46000
  • LogP: 6.99560
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Security Information

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Pricemore >>

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(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Related Literature

Related Categories

113626-76-9 ((8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol) Related Products

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