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Heraclenol

CAT: 0013-GTR19165250-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165250-01Size:1 mg
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Description
Heraclenol
CAS Number
31575-93-6
Product Name Alternative
Antibacterial, Immunology & Inflammation related, Heraclenol
Field of Research
Infectious Disease & Virology
Purity
99.70% (May vary between batches)
Solubility
DMSO:1.5 mg/mL (4.93 mM)
Smiles
O (C[C@H] (C (C) (C) O) O) C=1C2=C (C=C3C1OC=C3) C=CC (=O) O2
Molecular Formula
C16H16O6
Molecular Weight
304.29
Storage Conditions
Store at low temperature, store under nitrogen, keep away from moisture | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Heraclenol

heraclenol has been reported in Pleurospermum rivulorum, Ferula sumbul, and other organisms with data available.

CAS Number31575-93-6
PubChem CID73253
IUPAC Name9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC16H16O6
Molecular Weight304.29
XLogP1.2
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
InChI
InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1
InChIKey
FOINLJRVEBYARJ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Heraclenol
CAS: 31575-93-6
CID: 73253
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.29
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass304.09468823
Monoisotopic Mass304.09468823
Topological Polar Surface Area89.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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