Cas no 934739-29-4 (Karavilagenin D)

Karavilagenin D structure
Karavilagenin D structure
Product Name:Karavilagenin D
CAS No:934739-29-4
MF:C30H46O4
MW:470.683849811554
CID:837435
PubChem ID:57330179
Update Time:2025-04-19

Karavilagenin D Chemical and Physical Properties

Names and Identifiers

    • Karavilagenin D
    • (1R,4S,5S,8R,9R,12S,13S,16S)-16-Hydroxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0<sup>1,13</sup>.0<sup>4,12</sup>.0<sup>5,9</sup>]nonadec-2-en-19-one
    • [ "" ]
    • HY-111070
    • (1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
    • 934739-29-4
    • AKOS040761944
    • CS-0034148
    • FS-9172
    • (-)-Karavilagenin D
    • (1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-((E,2R)-6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo(10.5.2.01,13.04,12.05,9)nonadec-2-en-19-one
    • DA-64712
    • Inchi: 1S/C30H46O4/c1-19(9-8-14-25(2,3)33)20-12-15-28(7)21-13-16-30-22(10-11-23(31)26(30,4)5)29(21,24(32)34-30)18-17-27(20,28)6/h8,13-14,16,19-23,31,33H,9-12,15,17-18H2,1-7H3/b14-8+/t19-,20-,21+,22+,23+,27-,28+,29+,30-/m1/s1
    • InChI Key: CUJVAMKVNDHSSR-DLGSBZDHSA-N
    • SMILES: O1C([C@@]23CC[C@]4(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]4(C)[C@@H]2C=C[C@]21C(C)(C)[C@H](CC[C@@H]32)O)=O

Computed Properties

  • Exact Mass: 470.34000
  • Monoisotopic Mass: 470.33960994g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 4
  • Complexity: 932
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.9
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 595.8±50.0 °C at 760 mmHg
  • Flash Point: 188.0±23.6 °C
  • PSA: 66.76000
  • LogP: 5.82120
  • Vapor Pressure: 0.0±3.8 mmHg at 25°C

Karavilagenin D Security Information

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