Cas no 564-14-7 (A'-Neogammacer-17(21)-en-3-ol, (3b)-)

A'-Neogammacer-17(21)-en-3-ol, (3b)- structure
564-14-7 structure
Product Name:A'-Neogammacer-17(21)-en-3-ol, (3b)-
CAS No:564-14-7
MF:C30H50O
MW:426.717409610748
CID:837473
PubChem ID:91632878
Update Time:2025-04-19

A'-Neogammacer-17(21)-en-3-ol, (3b)- Chemical and Physical Properties

Names and Identifiers

    • A'-Neogammacer-17(21)-en-3-ol, (3b)-
    • Hop-17(21)-en-3β-ol
    • (3β)-Hop-17(21)-en-3-ol
    • HOP-17(21)-EN-3BETA-OL
    • Hop-17(21)-en-3-ol
    • 2(3h)-benzothiazolone, 3-(2-hydroxyethyl)-
    • 3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-one
    • 3-(2-hydroxyethyl)-2-benzothiazolinone
    • 3-(2-hydroxy-ethyl)-3H-benzothiazol-2-one
    • 3-(2-hydroxyethyl)benzothiazolin-2-one
    • 3-(2-Hydroxy-ethyl)-benzothiazolinon-(2)
    • AC1L6RBL
    • AC1Q6MRF
    • AN-584
    • CTK1A8006
    • NSC116338
    • SureCN4614755
    • [ "" ]
    • Hop-17(21)-en-3
    • FS-10018
    • A'-Neogammacer-17(21)-en-3-ol (7CI,8CI); (3)-A'-Neogammacer-17(21)-en-3-ol
    • 564-14-7
    • (5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-9-ol
    • A-ol
    • AKOS032948378
    • (5aR,5bR,7aR,9S,11aR,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta(a)chrysen-9-ol
    • Inchi: 1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-25,31H,9-18H2,1-8H3/t22-,23+,24+,25-,27-,28-,29+,30+/m0/s1
    • InChI Key: DHBQQMHTQXHLJU-JFAFVJIASA-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@@]3(C)CCC(C(C)C)=C3CC[C@@]12C

Computed Properties

  • Exact Mass: 426.38600
  • Monoisotopic Mass: 426.386166214g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 1
  • Complexity: 790
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 491.8±14.0 °C at 760 mmHg
  • Flash Point: 218.0±12.4 °C
  • PSA: 20.23000
  • LogP: 8.16890
  • Vapor Pressure: 0.0±2.8 mmHg at 25°C

A'-Neogammacer-17(21)-en-3-ol, (3b)- Security Information

A'-Neogammacer-17(21)-en-3-ol, (3b)- Pricemore >>

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