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Squalene 2,3:22,23-dioxide

CAT: 0926-GBA06319Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-GBA06319Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31063-19-1
Smiles
CC (=CCCC=C (C) CCC=C (C) CCC1C (O1) (C) C) CCC=C (C) CCC2C (O2) (C) C
Molecular Formula
C30H50O2
Molecular Weight
442.7 g/mol
Controlled
No

Chemical Information

2,3,22,23-Dioxidosqualene
CAS Number31063-19-1
PubChem CID6440985
IUPAC Name3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP9
Topological Polar Surface Area25.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count32
Formal Charge0
Complexity655
SMILES
C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
InChI
InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+
InChIKey
KABSNIWLJXCBGG-TXLDAEQNSA-N
Chemical Structure
2D Structure
2D structure of 2,3,22,23-Dioxidosqualene
CAS: 31063-19-1
CID: 6440985
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area25.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-S683810-25MGSqualene 2,3:22,23-Dioxide
TN5051Squalene-2,3-diol
HY-N1215Squalene-2,3-glycol
166591Squalene-2,3-glycol discontinued
T209552-01Squalene synthase-IN-2
HY-16108ASqualene synthase-IN-3 (tripotassium)
AS22 4820Anti-SQE1-3 | Squalene epoxidase1-3
MBS7030353-01Recombinant Arabidopsis thaliana Squalene monooxygenase 2 (SQP2)
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