Cas no 3285-87-8 (Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI))

Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI) structure
3285-87-8 structure
Product Name:Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI)
CAS No:3285-87-8
MF:C24H34O3
MW:370.524967670441
CID:314482
PubChem ID:102389
Update Time:2025-04-19

Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI)
    • [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
    • (3beta)-20-oxopregna-5,16-dien-3-yl propanoate
    • 3beta-Hydroxypregna-5,16-dien-20-one 3-propionate
    • EINECS 221-936-8
    • NS00048998
    • 3285-87-8
    • DTXSID80954496
    • 20-Oxopregna-5,16-dien-3-yl propanoate
    • Inchi： 1S/C24H34O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h6,8,17-18,20-21H,5,7,9-14H2,1-4H3/t17-,18-,20-,21-,23-,24+/m0/s1
    • InChI Key： HGXGILYYMJORSA-GBOSRWDWSA-N
    • SMILES： O(C(CC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@H]1[C@@H]3CC=C(C(C)=O)[C@@]3(C)CC[C@@H]12

Computed Properties

  • Exact Mass: 370.250795
  • Monoisotopic Mass: 370.250795
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 717
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4
  • XLogP3: 5

Experimental Properties

  • Density: 1.1
  • Boiling Point: 476.8°Cat760mmHg
  • Flash Point: 204.6°C
  • Refractive Index: 1.543

Pregna-5,16-dien-20-one,3-(1-oxopropoxy)-, (3b)- (9CI) Related Literature

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