Cas no 10379-57-4 (A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI))

A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI) structure
10379-57-4 structure
Product Name:A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI)
CAS No:10379-57-4
MF:C29H48
MW:396.691429138184
CID:118566
PubChem ID:16211057
Update Time:2025-04-18

A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI)
    • (5aR,5bR,7aS,11aS,11bR,13aS,13bR)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
    • 17Β(H),21Α(H)-30-NORHOP-2-ENE
    • 17β(H),21α(H)-30-Norhop-2-eneneat
    • 30-Norhop-17(21)-ene
    • 03707_FLUKA
    • 30-Norhop-17(21)ene solution
    • A inverted exclamation marka-Neo-30-norgammacer-17(21)-ene
    • A'-Neo-30-norgammacer-17(21)-ene
    • 10379-57-4
    • DTXSID60583349
    • (5aR,5bR,7aS,11aS,11bR,13aS,13bR)-3-Ethyl-5a,5b,8,8,11a,13b-hexamethyl-2,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
    • Inchi： 1S/C29H48/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h22-24H,8-19H2,1-7H3/t22-,23+,24+,26-,27-,28+,29+/m0/s1
    • InChI Key： GOPDLMFHMQYLNR-LEFMYDISSA-N
    • SMILES： [C@@]12(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC[C@@H]1[C@@]3(C)CCC(CC)=C3CC[C@@]21C

Computed Properties

  • Exact Mass: 396.37600
  • Monoisotopic Mass: 396.375601531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 1
  • Complexity: 726
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.97
  • Boiling Point: 452.7°C at 760 mmHg
  • Flash Point: 226°C
  • Refractive Index: 1.53
  • PSA: 0.00000
  • LogP: 8.95210

A'-Neo-30-norgammacer-17(21)-ene(7CI,8CI,9CI) Security Information

  • Hazardous Material transportation number：UN 1262 3/PG 2
  • WGK Germany：1
  • Hazard Category Code： 11-38-50/53-65-67
  • Safety Instruction： 60-61-62
  • FLUKA BRAND F CODES：10-23
  • Hazardous Material Identification： F Xn N
  • Safety Term：S60-61-62
  • Risk Phrases：R11; R38; R50/53; R65; R67
  • Storage Condition：?20°C

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