chempirical

Cedrol

C15H26OCAS 77-53-2222.37 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C15H26O
Molar mass
222.37 g/mol
Exact mass
222.1984 Da
Melting point
86 °C
logP
3.61Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
R, S, R, S, Rin SMILES atom order

Identifiers

CAS number
77-53-2
SMILES
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O
InChIKey
SVURIXNDRWRAFU-OGMFBOKVSA-N
InChI
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-
  • 8βH-Cedran-8-ol
  • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,6α,7β,8aα)]-
  • (3R,3aS,6R,7R,8aS)-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol
  • α-Cedrol
  • (+)-Cedrol
  • Cedrol nanomedicin
  • (3R,3AS,6R,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol

Work with Cedrol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R,3As,6S,7R,8as)-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3A,7-methanoazulene19870-74-756 % similar Cedryl acetate77-54-349 % similar (-)-Cedrene469-61-439 % similar Acetylcedrene32388-55-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

trans-Farnesol106-28-5 Bisabolol23089-26-1 trans-Nerolidol40716-66-3 Farnesol4602-84-0 Beta-eudesmol473-15-4 Guaiol489-86-1 Bisabolol515-69-5 Patchoulol5986-55-0

Elsewhere

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