Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol Hydrate

4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol Hydrate synonyms

Sabinene hydrate


Graphical representations:

4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol hydrate image

View large 3D structure

Molecular Formula: C10H20O2

Natural Isotopic Abundance Mass: 172.2646

Mono-Isotopic Molecular Masses:

  • C12N14: 172.14632988
  • C13N14: 182.17987826
  • C12N15: 172.14632988
  • C13N15: 182.17987826

InChI String: InChI=1S/C10H18O.H2O/c1-7(2)10-5-4-9(3,11)8(10)6-10;/h7-8,11H,4-6H2,1-3H3;1H2/t8-,9-,10-;/m1./s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   24890322
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_01519

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,