Cas no 2734-37-4 (Neohopene)

Neohopene structure
Neohopene structure
Product Name:Neohopene
CAS No:2734-37-4
MF:C30H50
MW:410.718009471893
CID:286997
Update Time:2024-02-29

Neohopene Chemical and Physical Properties

Names and Identifiers

    • A'-Neo-28-norgammacer-12-ene,17-methyl-, (17a,18b)-
    • B':A'-Neogammacer-12-ene(8CI)
    • Neohop-12-ene
    • Neohopene
    • Neomotiene
    • Neohop-13(18)-ene
    • Inchi: 1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22+,24+,25-,27-,28+,29-,30-/m1/s1
    • InChI Key: CFSDWXPIIWGIDB-YWMQVRGDSA-N
    • SMILES: [C@@]12(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC=C1[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@@]21C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 1
  • Complexity: 741
  • Topological Polar Surface Area: 0
  • XLogP3: 13.955
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