Cas no 10163-83-4 ([(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate)

[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate structure
10163-83-4 structure
Product Name:[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
CAS No:10163-83-4
MF:C28H42O7
MW:490.628889560699
CID:199546
PubChem ID:202357
Update Time:2025-04-19

[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • Pregn-5-en-20-one,11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3b,11a,12b,14b)- (9CI)
    • Drevogenin A
    • [(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
    • Pregn-5-en-20-one,11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3b,11a,12b,14b)- ...
    • [ "" ]
    • 11α-Acetoxy-3β,14β-dihydroxy-12β-[(3-methyl-1-oxobutyl)oxy]pregn-5-en-20-one
    • [(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,
    • 14-beta-Pregn-5-en-20-one, 3-beta,11-alpha,12-beta,14-tetrahydroxy-, 11-acetate 12-isovalerate
    • 11alpha-Acetoxy-3beta,14beta-dihydroxy-12beta-[(3-methyl-1-oxobutyl)oxy]pregn-5-en-20-one
    • AKOS040761642
    • 11-(Acetyloxy)-3,14-dihydroxy-20-oxopregn-5-en-12-yl 3-methylbutanoate
    • 14-Pregn-5-en-20-one, 3,11,12,14-tetrahydroxy-, 11-acetate 12-isovalerate
    • 10163-83-4
    • Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3beta,11alpha,12beta,14beta)-
    • F92742
    • DTXSID80906410
    • Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3-beta,11-alpha,12-beta,14-beta)-
    • ((3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta(a)phenanthren-12-yl) 3-methylbutanoate
    • [(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
    • Inchi： 1S/C28H42O7/c1-15(2)13-22(32)35-25-24(34-17(4)30)23-21(8-7-18-14-19(31)9-11-26(18,23)5)28(33)12-10-20(16(3)29)27(25,28)6/h7,15,19-21,23-25,31,33H,8-14H2,1-6H3/t19-,20+,21+,23+,24-,25+,26-,27-,28-/m0/s1
    • InChI Key： VZYFPJYRFFDDKS-GJULNNQYSA-N
    • SMILES： O[C@]12CC[C@H](C(C)=O)[C@@]1(C)[C@@H]([C@H]([C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@@H]21)O)OC(C)=O)OC(CC(C)C)=O

Computed Properties

  • Exact Mass: 490.29316
  • Monoisotopic Mass: 490.29305367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 924
  • 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
  • Topological Polar Surface Area: 110
  • XLogP3: 2.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 183.1±7.0 °C at 760 mmHg
  • Flash Point: 67.6±18.2 °C
  • PSA: 110.13
  • Vapor Pressure: 0.8±0.3 mmHg at 25°C

[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate Security Information

[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate Pricemore >>

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[(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate Related Literature

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10163-83-4 ([(8R,9R,10R,13S,14S)-17-Acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate) Related Products

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