Tirucalla-7,24-dien-3beta-ol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 12302184
Molecular Formula

C30H50O

SMILES

C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1

synonyms
  • Tirucalla-7,24-dien-3beta-ol
  • tirucalladienol
  • Delta(7)-tirucallol
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Properties
Property Value
MW 426.7 g/mol
HBD 1
HBA 1
Rotatable Bond Count 4
Exact Mass 426.386166214 g/mol
Monoisotopic Mass 426.386166214 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 754
xlogp 9.2
Topological Polar Surface Area 20.2