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(±)-Maackiain; dl- Maackiain

CAT: 0607-N1956-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N1956-20Size:20 mg
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CAS Number
19908-48-6
Product Name Alternative
(6aS,12aS)-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol
Sequence
dl-Maackiain
Field of Research
Natural Products
Purity
0.98
Form
A solid
Solubility
≥5.8 mg/mL in DMSO
Smiles
[H][C@](C1=C2[H])(C([H])([H])OC3=C4C([H])=C([H])C(O[H])=C3[H])[C@]4([H])OC1=C([H])C5=C2OC([H])([H])O5
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(+)-Maackiain

(+)-maackiain is the (+)-enantiomer of maackiain. It is an enantiomer of a (-)-maackiain.

CAS Number19908-48-6
PubChem CID161298
IUPAC Name(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP2.5
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity415
SMILES
C1[C@H]2[C@@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1
InChIKey
HUKSJTUUSUGIDC-BDJLRTHQSA-N
Chemical Structure
2D Structure
2D structure of (+)-Maackiain
CAS: 19908-48-6
CID: 161298
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area57.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
XM167289(+) -Maackiain
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TBZ2136(-)-Maackiain
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XM167290(+/-) -Maackiain
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