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Zeaxanthin Diacetate

CAT: 0572-TRC-Z275010-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Z275010-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16638-61-2
Synonyms
(3R,3'R)-all-trans-beta-Carotene-3,3'-diol Diacetate; beta-Carotene-3,3'-diol Diacetate (6CI,7CI); (3R,3'R)-beta,beta-Carotene-3,3'-diol, 3,3'-Diacetate
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@@H]1CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(=O)C)\C)\C)C(C)(C)C1)C
Molecular Formula
C44H60O4
Molecular Weight
652.96
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Zeaxanthin diacetate
CAS Number16638-61-2
PubChem CID21772435
IUPAC Name[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-acetyloxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] acetate
Molecular FormulaC44H60O4
Molecular Weight652.9
XLogP12.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1400
SMILES
CC1=C(C(C[C@@H](C1)OC(=O)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)OC(=O)C)C)\C)\C)/C)/C
InChI
InChI=1S/C44H60O4/c1-31(19-15-21-33(3)23-25-41-35(5)27-39(47-37(7)45)29-43(41,9)10)17-13-14-18-32(2)20-16-22-34(4)24-26-42-36(6)28-40(48-38(8)46)30-44(42,11)12/h13-26,39-40H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t39-,40-/m1/s1
InChIKey
OLFXPGIJEZQMAY-JUBYCYMMSA-N
Chemical Structure
2D Structure
2D structure of Zeaxanthin diacetate
CAS: 16638-61-2
CID: 21772435
Formula: C44H60O4
MW: 652.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.9
XLogP312.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass652.44916039
Monoisotopic Mass652.44916039
Topological Polar Surface Area52.6 Ų
Heavy Atom Count48
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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