Cas no 511-01-3 (2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-)

2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)- structure
511-01-3 structure
Product Name:2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-
CAS No:511-01-3
MF:C30H50O2
MW:442.716809749603
CID:370471
PubChem ID:11453544
Update Time:2025-04-19

2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)- Chemical and Physical Properties

Names and Identifiers

    • α-Onocerol
    • 5-[2-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
    • ALPHA-ONOCERIN
    • alpha-Onocerol
    • α-Onocerin
    • α-Onocerinneat
    • 1'-hydroxy-MDZ
    • 1-Hydroxymethylmidazolam
    • 1'-Hydroxymidazolam
    • 1-OH-midazolam
    • Onocerin
    • (+)-Onocerin
    • [ "" ]
    • Alpha-onocerin chloroform hemisolvate
    • C21734
    • (+)-alpha-onocerin
    • 8,14-secogammacera-8(26),14(27)-diene-3beta,21alpha-diol
    • AKOS040761341
    • GESZMTVZGWZBPW-IHIDZKKCSA-
    • CHEBI:138303
    • InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1
    • (2S,4aR,5S,8aR)-5-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
    • (3beta,21alpha)-8,14-Secogammacera-8(26),14(27)-diene-3,21-diol
    • (+)-Onocerin; -Onocerin
    • FS-9945
    • NS00042974
    • 511-01-3
    • (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol
    • EINECS 208-118-6
    • Alpha-onocerin, primary pharmaceutical reference standard
    • DTXSID10965373
    • 5,5'-(Ethane-1,2-diyl)bis(1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol)
    • AKOS032948455
    • a-Onocerol
    • (2S,4AR,5S,8AR)-5-{2-[(1S,4AR,6S,8AR)-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL}-1,1,4A-TRIMETHYL-6-METHYLIDENE-HEXAHYDRO-2H-NAPHTHALEN-2-OL
    • 2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-
    • Inchi： 1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1
    • InChI Key： GESZMTVZGWZBPW-IHIDZKKCSA-N
    • SMILES： O[C@H]1CC[C@]2(C)[C@H](C(=C)CC[C@H]2C1(C)C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@H](CC[C@@]21C)O

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: 3
  • Complexity: 699
  • 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: 7.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 524.3±50.0 °C at 760 mmHg
  • Flash Point: 210.3±24.7 °C
  • PSA: 40.46000
  • LogP: 7.30580
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)- Security Information

2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)- Pricemore >>

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2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)- Related Literature

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511-01-3 (2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-) Related Products

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