BMRB

Biological Magnetic Resonance Data Bank


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

Fenchol

Graphical representations:

Fenchol image

Molecular Formula: C10 H18 O

Natural Isotopic Abundance Mass: 154.24932

Mono-Isotopic Molecular Masses:

  • C12N14: 154.1357651999
  • C13N14: 164.1693135779
  • C12N15: 154.1357651999
  • C13N15: 164.1693135779

InCHi String: InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1

canonical SMILES: CC1(C2CCC(C2)(C1O)C)C

isomeric SMILES: CC1([C@H]2CC[C@](C2)([C@H]1O)C)C

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(1R,4S,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(1R,2R,4S)-1,3,3-trimethylnorbornan-2-ol

PUBCHEM iupac CAS NAME
(1R,2R,4S)-1,3,3-trimethyl-2-norbornanol

PubChem Substance (SID):   85165278   43599230   15983154
PubChem Compound (CID):   6997371
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 46198_FLUKA   ZINC ZINC00968128   ChemSpider 5365080   Thomson Pharma 01396144   MMCD cq_01466   MDL MFCD00003760

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.