(-) -Maackiain

CAT: 0926-FM73808-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FM73808-02Size:2 mg

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CAS Number

2035-15-6

Smiles

C1[C@@H]2[C@H] (C3=C (O1) C=C (C=C3) O) OC4=CC5=C (C=C24) OCO5

Molecular Formula

C16H12O5

Molecular Weight

284.26 g/mol

Controlled

Chemical Information

(-)-Maackiain

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

CAS Number	2035-15-6
PubChem CID	91510
IUPAC Name	(1R,12R)-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 Formula	C16H12O5
Molecular Weight	284.26
XLogP	2.5
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	415

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-/m0/s1

InChIKey

HUKSJTUUSUGIDC-ZBEGNZNMSA-N

Chemical Structure

2D Structure

CAS: 2035-15-6

CID: 91510

Formula: C16H12O5

MW: 284.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.26
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	284.06847348
Monoisotopic Mass	284.06847348
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes