chempirical

γ-Oryzanol

C40H58O4CAS 11042-64-1602.90 g/mol

Open in Covalent MOL file
OOOHO
AlkeneEsterEtherPhenol

Properties

Molecular formula
C40H58O4
Molar mass
602.90 g/mol
Exact mass
602.4335 Da
Melting point
135–137 °C
logP
10.15Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8
Stereocentres
R, R, S, R, S, S, R, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P280, P302+P352, P316, P321, P361+P364, P405, P501

Identifiers

CAS number
11042-64-1
SMILES
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
InChIKey
FODTZLFLDFKIQH-FSVGXZBPSA-N
InChI
InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • OZ
  • γ-OZ
  • γ-Orizanol
  • Hi-Z
  • Caclate
  • Oryvita
  • Gammajust 50
  • Oliver
  • Oryzaal
  • Gammatsul
  • Guntrin
  • Gamma-OZ
  • Maspiron
  • Thiaminogen
  • Gamma-Orizanol
  • Gamma-oryzanol

Work with γ-Oryzanol

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

Ethyl ferulate4046-02-040 % similar Methyl ferulate2309-07-139 % similar Coniferyl ferulate63644-62-238 % similar Phenylethyl 3-methylcaffeate71835-85-338 % similar Dehydrozingerone1080-12-236 % similar Curcumin458-37-736 % similar Desmethoxycurcumin22608-11-335 % similar Ferulic acid1135-24-635 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook