BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Lanosterol

Graphical representations:

lanosterol image

Molecular Formula: C30 H50 O

Natural Isotopic Abundance Mass: 426.7174

Mono-Isotopic Molecular Masses:

  • C12N14: 426.3861662271
  • C13N14: 456.4868113611
  • C12N15: 426.3861662271
  • C13N15: 456.4868113611

InCHi String: InChI=1/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/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

Canonical SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

Isomeric SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
lanosterol

PubChem Substance (SID):   4861   7990923   24896417
PubChem Compound (CID):   246983
KEGG: Compound ID   C01724
CAS Registry IDs:   79-63-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich L5768_SIGMA   ChEBI CHEBI:16521   ChemSpider 216175   CambridgeSoft Corporation 5602   LipidMAPS LMST01010017   ZINC ZINC03870056   MMCD cq_01107   MDL MFCD00021108

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.