Cas no 6750-30-7 (Arnidiol)

Arnidiol structure
Arnidiol structure
Product Name:Arnidiol
CAS No:6750-30-7
MF:C30H50O2
MW:442.7168
CID:1723711
PubChem ID:572801
Update Time:2024-10-28

Arnidiol Chemical and Physical Properties

Names and Identifiers

    • (3beta,9xi,16beta,19alpha)-urs-20(30)-ene-3,16-diol
    • Ainidiol
    • (3beta,16beta,18alpha,19alpha)-Urs-20(30)-ene-3,16-diol
    • 3beta,16beta-Dihydroxytaraxene
    • Arnidenediol
    • Arnidiol
    • IOPDFSGGBHSXSV-UHFFFAOYSA-N
    • AC-34790
    • 18alpha,19betaH-URS-20(30)-ENE-3beta,12-DIOL
    • (3S,4aR,6aR,6bR,8S,8aS,12S,12aS,12bR,14bR)-4,4,6a,6b,8a,12,14b-Heptamethyl-11-methylene-docosahydro-picene-3,8-diol
    • CHEBI:191977
    • 3.BETA.,16.BETA.-DIHYDROXYTARAXENE
    • MS-27969
    • B94L6R1Z6C
    • AKOS032946454
    • UNII-B94L6R1Z6C
    • 6750-30-7
    • Urs-20(30)-ene-3,16-diol, (3beta,16beta,18alpha,19alpha)-
    • Urs-20(30)-ene-3,16-diol, (3.beta.,16.beta.,18.alpha.,19.alpha.)-
    • CS-0032290
    • HY-N4165
    • 18.ALPHA.,19.BETA.H-URS-20(30)-ENE-3.BETA.,12-DIOL
    • Q27274529
    • (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
    • DTXSID50986880
    • 4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
    • Urs-20(30)-ene-3,16-diol #
    • G17029
    • DA-50710
    • Inchi: 1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3
    • InChI Key: IOPDFSGGBHSXSV-UHFFFAOYSA-N
    • SMILES: O([H])C1([H])C([H])([H])C2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C4(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C(C([H])([H])[H])(C([H])([H])[H])C4([H])C([H])([H])C([H])([H])C23C([H])([H])[H])O[H])C2([H])C([H])(C([H])([H])[H])C(=C([H])[H])C([H])([H])C([H])([H])C21C([H])([H])[H]

Computed Properties

  • Exact Mass: 442.381080833 g/mol
  • Monoisotopic Mass: 442.381080833 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 801
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.6
  • Topological Polar Surface Area: 40.5
  • Molecular Weight: 442.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.05±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 257 oC
  • Boiling Point: 518.2±43.0 °C at 760 mmHg
  • Flash Point: 208.8±22.8 °C
  • Solubility: Insuluble (8.4E-5 g/L) (25 oC),
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

Arnidiol Pricemore >>

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