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Siphonaxanthin

CAT: 1596-AR-S10400-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10400-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28526-44-5
Molecular Formula
C40H56O4
Molecular Weight
600.88
API Name
Siphonaxanthin

Chemical Information

(3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

(3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one has been reported in Codium fragile with data available.

CAS Number28526-44-5
PubChem CID5380124
IUPAC Name(3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
Molecular FormulaC40H56O4
Molecular Weight600.9
XLogP8.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity1330
SMILES
CC1=C(C(CC(C1)O)(C)C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(CC2(C)C)O)C)/C)/CO
InChI
InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+
InChIKey
SUCKEYMKNGZJHK-LANKSYMZSA-N
Chemical Structure
2D Structure
2D structure of (3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
CAS: 28526-44-5
CID: 5380124
Formula: C40H56O4
MW: 600.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.9
XLogP38.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass600.41786026
Monoisotopic Mass600.41786026
Topological Polar Surface Area77.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN9850-01Siphonaxanthin

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