(1-hydroxy-1-methyl-3-phenylpropyl)-6,14-endo-ethenotetrahydrooripavine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 167110
Molecular Formula

C30H35NO4

SMILES

C[C@@](CCC1=CC=CC=C1)([C@H]2C[C@@]34C=C[C@@]2([C@H]5[C@@]36CCN([C@@H]4CC7=C6C(=C(C=C7)O)O5)C)OC)O

InChI

InChI=1S/C30H35NO4/c1-27(33,12-11-19-7-5-4-6-8-19)22-18-28-13-14-30(22,34-3)26-29(28)15-16-31(2)23(28)17-20-9-10-21(32)25(35-26)24(20)29/h4-10,13-14,22-23,26,32-33H,11-12,15-18H2,1-3H3/t22-,23-,26-,27-,28-,29+,30-/m1/s1

synonyms
  • 14521-98-3
  • (1R,2S,6R,14R,15R,19R)-19-[(2R)-2-Hydroxy-4-phenylbutan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
  • (1-Hydroxy-1-methyl-3-phenylpropyl)-6,14-endo-ethenotetrahydrooripavine
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Properties
Property Value
MW 473.6 g/mol
HBD 2
HBA 5
Rotatable Bond Count 5
Exact Mass 473.25660860 g/mol
Monoisotopic Mass 473.25660860 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 888
xlogp 4.2
Topological Polar Surface Area 62.2