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(11alpha)-11-hydroxycephalotaxine | 49686-55-7

Product name:(11alpha)-11-hydroxycephalotaxine

CAS No:49686-55-7
MF:C18H21NO5
MW:331.36300
CID:932640
PubChem ID:285343
Names and Identifiers
  • (11alpha)-11-hydroxycephalotaxine
  • (1S,3aR)-1,5,6,8,9,14bβ-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-1α,9α-diol
  • Cephalotaxine, 15-hydroxy-
  • (3aS)-1-benzyl-3a-methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol
  • (3aS)-1-benzyl-3a-methyl-1,2,3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-5-ol
  • (3aS)-1-benzyl-5-ethoxy-3a,8-d methyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
  • (3aS)-1-benzyl-5-ethoxy-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo
  • 11-Hydroxycephalotaxin
  • 11-hydroxycephalotaxine
  • 2-benzyl-hexahydro-1H-isoindol-4-one
  • CTK7H3874
  • SBB097484
  • SureCN1904392
  • Cephalotaxine, (11.alpha.)-
  • NSC-142197
  • NSC-166065
  • (2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
  • NSC142197
  • 11-Hydroxycephalotaxine
  • 49686-55-7
  • CEPHALOTAXINE,11-HYDROXY
  • NSC166065
  • 15-Hydroxycephalotaxine
  • DTXSID30964343
  • 11alpha-Hydroxycephalotaxine
  • InChIKey:SZCHXNLVRKQEGO-XKDXWZMYSA-N
  • Inchi:InChI=1S/C18H21NO5/c1-22-15-7-18-3-2-4-19(18)8-12(20)10-5-13-14(24-9-23-13)6-11(10)16(18)17(15)21/h5-7,12,16-17,20-21H,2-4,8-9H2,1H3/t12-,16+,17+,18-/m0/s1
  • SMILES:COC1=CC23CCCN2CC(C4=CC5=C(C=C4C3C1O)OCO5)O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 331.14200
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 331.142
  • Heavy Atom Count: 24
  • Complexity: 554
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.4
  • Topological Polar Surface Area: 71.4Ų

Experimental Properties

  • LogP: 1.22320
  • PSA: 71.39000
  • Refractive Index: 1.688
  • Boiling Point: 537.7°C at 760 mmHg
  • Flash Point: 279°C
  • Density: 1.47
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