BMRB

Biological Magnetic Resonance Data Bank


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

(1R,2R,4R)-dihydrocarveol

Graphical representations:

(1R,2R,4R)-dihydrocarveol 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/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1

canonical SMILES: CC1CCC(CC1O)C(=C)C

isomeric SMILES: C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C

PUBCHEM iupac NAME
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol

PUBCHEM iupac CAS NAME
(1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol

PUBCHEM iupac SYSTEMATIC NAME
(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol

PubChem Substance (SID):   85165314   50139448   36886533
PubChem Compound (CID):   443163
KEGG: Compound ID   C11396
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 37278_FLUKA   ChEBI CHEBI:149   LipidMAPS LMPR01020079   ChemSpider 391435   MMCD cq_08034   MDL MFCD00210042

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.