Inonotusane C

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 156580360
Molecular Formula

C27H42O2

SMILES

C[C@H](/C=C/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

InChI

InChI=1S/C27H42O2/c1-18(8-7-17-28)19-11-15-27(6)21-9-10-22-24(2,3)23(29)13-14-25(22,4)20(21)12-16-26(19,27)5/h7-8,17-19,22-23,29H,9-16H2,1-6H3/b8-7+/t18-,19-,22+,23+,25-,26-,27+/m1/s1

synonyms
  • Inonotusane C
  • CHEBI:200056
  • (E,4R)-4-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enal
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Properties
Property Value
MW 398.6 g/mol
HBD 1
HBA 2
Rotatable Bond Count 3
Exact Mass 398.318480578 g/mol
Monoisotopic Mass 398.318480578 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 746
xlogp 6.2
Topological Polar Surface Area 37.3