BMRB

Biological Magnetic Resonance Data Bank


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

Pinocarveol

Graphical representations:

pinocarveol image

Molecular Formula: C10 H16 O

Natural Isotopic Abundance Mass: 152.23344

Mono-Isotopic Molecular Masses:

  • C12N14: 152.1201151357
  • C13N14: 162.1536635137
  • C12N15: 152.1201151357
  • C13N15: 162.1536635137

InCHi String: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7?,8?,9-/m1/s1

canonical SMILES: CC1(C2CC1C(=C)C(C2)O)C

isomeric SMILES: CC1(C2CC1C(=C)[C@@H](C2)O)C

PUBCHEM iupac NAME
(3R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(3R)-6,6-dimethyl-2-methylene-norpinan-3-ol

PUBCHEM iupac CAS NAME
(3R)-6,6-dimethyl-2-methylene-3-norpinanol

PUBCHEM iupac SYSTEMATIC NAME
(3R)-7,7-dimethyl-4-methylidene-bicyclo[3.1.1]heptan-3-ol

PubChem Substance (SID):   85165341   24887566
PubChem Compound (CID):   12314318
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 80613_FLUKA   MMCD cq_08515   MDL MFCD00210086

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.