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Ubichromenol

CAT: 0024-sc-474291Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-474291Size:5 mg
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CAS Number
2382-48-1

Chemical Information

Ubichromenol
CAS Number2382-48-1
PubChem CID6443757
IUPAC Name(2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
Molecular FormulaC59H90O4
Molecular Weight863.3
XLogP19.6
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count29
Heavy Atom Count63
Formal Charge0
Complexity1650
SMILES
CC1=C2C=C[C@@](OC2=C(C(=C1O)OC)OC)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-42-59(12)43-41-54-53(11)55(60)57(61-13)58(62-14)56(54)63-59/h24,26,28,30,32,34,36,38,40-41,43,60H,15-23,25,27,29,31,33,35,37,39,42H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+/t59-/m1/s1
InChIKey
ARZCDYVIZADZJN-QXCSMICNSA-N
Chemical Structure
2D Structure
2D structure of Ubichromenol
CAS: 2382-48-1
CID: 6443757
Formula: C59H90O4
MW: 863.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight863.3
XLogP319.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count29
Exact Mass862.68391135
Monoisotopic Mass862.68391135
Topological Polar Surface Area47.9 Ų
Heavy Atom Count63
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
022634Ubichromenol
TRC-U100500-5MGUbichromenol (>80%)

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