Cas no 20065-99-0 (Hennadiol)

Hennadiol structure
Hennadiol structure
Product Name:Hennadiol
CAS No:20065-99-0
MF:C30H50O2
MW:442.716809749603
CID:837484
PubChem ID:489919
Update Time:2025-04-19

Hennadiol Chemical and Physical Properties

Names and Identifiers

    • Hennadiol
    • Lithium bis(2-methyl-2-propanyl)phosphanide
    • 12-URSEN-3B,28-DIOL
    • 12-URSEN-3BETA,28 DIOL
    • 3B,28-DIHYDROXY-URSA-12-EN
    • urs-12-ene-3,28-diol
    • urs-12-ene-3beta,28-diol
    • Uvaol,Urs-12-ene-3,28-diol
    • Wallichenol
    • 29-Hydroxylupeol
    • 30-Hydroxylup-20(29)-en-3beta-ol
    • 3beta,30-Dihydroxylup-20(29)-ene
    • Lup-20(29)-ene-3beta,30-diol
    • [ "Wallichenol" ]
    • FS-9342
    • 20065-99-0
    • Lup-20(29)-ene-3.beta.,30-diol
    • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-[1-(hydroxymethyl)vinyl]-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
    • (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
    • 30-Hydroxylupeol
    • AKOS040761829
    • CHEMBL518390
    • (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(1-Hydroxymethyl-vinyl)-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-ol
    • (-)-Lup-20(29)-ene-3beta,30-diol
    • Inchi： 1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
    • InChI Key： ZNUAKACHFYTNFX-QGTGJCAVSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)CO)CC[C@]3(C)CC[C@@]12C

Computed Properties

  • Exact Mass: 442.38100
  • Monoisotopic Mass: 442.381080833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 786
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.02
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 524.9±23.0 °C at 760 mmHg
  • Flash Point: 212.3±17.2 °C
  • PSA: 40.46000
  • LogP: 6.99720
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

Hennadiol Security Information

Hennadiol Pricemore >>

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