Cas no 35306-34-4 ((7alpha,8beta,9alpha)-dendroban-12-one hydrochloride (1:1))

(7alpha,8beta,9alpha)-dendroban-12-one hydrochloride (1:1) structure
35306-34-4 structure
Product Name:(7alpha,8beta,9alpha)-dendroban-12-one hydrochloride (1:1)
CAS No:35306-34-4
MF:C16H26ClNO2
MW:299.83614397049
CID:1469469
PubChem ID:215246
Update Time:2024-03-02

(7alpha,8beta,9alpha)-dendroban-12-one hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • (7alpha,8beta,9alpha)-dendroban-12-one hydrochloride (1:1)
    • Inchi: 1S/C16H25NO2.ClH/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18;/h8-14H,5-7H2,1-4H3;1H/t9-,10+,11+,12+,13+,14-,16+;/m1./s1
    • InChI Key: KOTZYABOMHJSEA-RXRHBCKHSA-N
    • SMILES: Cl.O1C([C@@H]2[C@H](C(C)C)[C@H]1[C@@H]1[C@@]3(C)[C@@H](CN1C)CC[C@H]32)=O

Computed Properties

  • Exact Mass: 299.1652068g/mol
  • Monoisotopic Mass: 299.1652068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 435
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.5?2
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