Cas no 128397-09-1 (Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)-)

Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)- structure
128397-09-1 structure
Product Name:Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)-
CAS No:128397-09-1
MF:C30H46O4
MW:470.683849811554
CID:188047
PubChem ID:14605533
Update Time:2025-04-19

Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)- Chemical and Physical Properties

Names and Identifiers

    • Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)-
    • Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydrox...
    • Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14
    • Hyptadienic acid
    • (+)-Hyptadienic acid
    • A(1)-Norursa-2,12-dien-28-oicacid, 19-hydroxy-2-(hydroxymethyl)-
    • Coleonolic acid
    • [ "Coleonolic acid" ]
    • hyptasienic acid
    • FS-10285
    • Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylic acid, 3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-, (3beta,3'alpha,4beta,4'alpha,8alpha,9beta,10alpha,13alpha,14beta)-
    • A(1)-Norursa-2,12-dien-28-oic acid, 19-hydroxy-2-(hydroxymethyl)-; (+)-Hyptadienic acid; Coleonolic acid
    • (3aS,5aR,5bS,7aS,10R,11R,11aS,13aS,13bS)-11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,11,13b-heptamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid
    • 128397-09-1
    • CS-0024468
    • DTXSID701316623
    • CHEMBL1164447
    • HY-N4024
    • AKOS026674266
    • DA-62444
    • (3AS,5AR,5BS,7AS,10R,11R,11AS,13AS,13BS)-11-HYDROXY-1-(HYDROXYMETHYL)-3,3,5A,5B,10,11,13B-HEPTAMETHYL-3AH,4H,5H,6H,7H,8H,9H,10H,11AH,13H,13AH-CYCLOPENTA[A]CHRYSENE-7A-CARBOXYLIC ACID
    • Inchi： 1S/C30H46O4/c1-18-10-13-30(24(32)33)15-14-26(4)20(23(30)29(18,7)34)8-9-22-27(26,5)12-11-21-25(2,3)16-19(17-31)28(21,22)6/h8,16,18,21-23,31,34H,9-15,17H2,1-7H3,(H,32,33)/t18-,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
    • InChI Key： YFLYOZWZPSYMPX-DCLYBNOZSA-N
    • SMILES： O[C@]1(C)[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(CO)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]21

Computed Properties

  • Exact Mass: 470.33960994g/mol
  • Monoisotopic Mass: 470.33960994g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 2
  • Complexity: 978
  • 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: 5.3
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 247.2±9.0 °C at 760 mmHg
  • Flash Point: 154.1±9.6 °C
  • PSA: 77.76000
  • LogP: 5.98200
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)- Security Information

Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)- Pricemore >>

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Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)- Related Literature

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128397-09-1 (Benzo[3,4]-18-norandrosta-3,5,15-triene-3(2'H)-carboxylicacid,3',4',5',6'-tetrahydro-3'-hydroxy-15-(hydroxymethyl)-3',4',9,14,17,17-hexamethyl-,(3b,3'a,4b,4'a,8a,9b,10a,13a,14b)-) Related Products

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