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Secodihydro-hydramicromelin B

CAT: 0013-GTR19180619-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180619-01Size:1 mg
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Description
Secodihydro-hydramicromelin B
CAS Number
1212148-58-7
Product Name Alternative
Secodihydro hydramicromelin B, Secodihydrohydramicromelin B, Secodihydro-hydramicromelin B, (rac) -Secodihydro-hydramicromelin B
Smiles
O=C (O) CCC=1C=C (C (OC) =CC1O) C2OC (=O) C (O) (C) C2O
Molecular Formula
C15H18O8
Molecular Weight
326.3
Storage Conditions
Keep away from direct sunlight, keep away from moisture, store at low temperature | 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

Secodihydro-hydramicromelin B
CAS Number1212148-58-7
PubChem CID45360164
IUPAC Name3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid
Molecular FormulaC15H18O8
Molecular Weight326.30
XLogP-0.3
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity466
SMILES
CC1(C(C(OC1=O)C2=C(C=C(C(=C2)CCC(=O)O)O)OC)O)O
InChI
InChI=1S/C15H18O8/c1-15(21)13(19)12(23-14(15)20)8-5-7(3-4-11(17)18)9(16)6-10(8)22-2/h5-6,12-13,16,19,21H,3-4H2,1-2H3,(H,17,18)
InChIKey
BNLUQONOBPMVBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Secodihydro-hydramicromelin B
CAS: 1212148-58-7
CID: 45360164
Formula: C15H18O8
MW: 326.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.30
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass326.10016753
Monoisotopic Mass326.10016753
Topological Polar Surface Area134 Ų
Heavy Atom Count23
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP21696Secodihydro-hydramicromelin B
HY-N1274(rac) -Secodihydro-hydramicromelin B
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