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Spirolaxine

CAT: 0607-BA1547-.5Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0607-BA1547-.5Size:500 µg
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CAS Number
126382-01-2
Molecular Formula
C23H32O6
Molecular Weight
404.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Spirolaxine

Spirolaxine has been reported in Sporotrichum laxum with data available.

CAS Number126382-01-2
PubChem CID11188895
IUPAC Name(3R)-5-hydroxy-7-methoxy-3-[5-[(2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]pentyl]-3H-2-benzofuran-1-one
Molecular FormulaC23H32O6
Molecular Weight404.5
XLogP4.5
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity568
SMILES
C[C@@H]1CC[C@@]2(O1)CCC[C@H](O2)CCCCC[C@@H]3C4=C(C(=CC(=C4)O)OC)C(=O)O3
InChI
InChI=1S/C23H32O6/c1-15-10-12-23(28-15)11-6-8-17(29-23)7-4-3-5-9-19-18-13-16(24)14-20(26-2)21(18)22(25)27-19/h13-15,17,19,24H,3-12H2,1-2H3/t15-,17-,19-,23-/m1/s1
InChIKey
CZIMFHQXGMXDMO-DGROVODQSA-N
Chemical Structure
2D Structure
2D structure of Spirolaxine
CAS: 126382-01-2
CID: 11188895
Formula: C23H32O6
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass404.21988874
Monoisotopic Mass404.21988874
Topological Polar Surface Area74.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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