Cholesterol | SBID = 33 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2: 20.2
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 8.7
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 8.0
3D Volume/Å3: 325.9
Sum Formula: C27H46O
M / g/mol: 386.664
Complexity: 591.0
Number of Conformers: 8.0

Identifiers

  • Tags: steroid, typical guest
  • Name: Cholesterol
  • Preferred Abbreviation: Cholesterol
  • IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • CAS: 57-88-5
  • CID: 5997
  • InChiKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
  • InChi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
  • CanoSmiles: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
  • IsoSmiles: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C