8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one

C₁₅H₁₈O₅CAS 5875-49-0278.30 g/mol

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Properties

Molecular formula: C₁₅H₁₈O₅
Molar mass: 278.30 g/mol
Exact mass: 278.1154 Da
logP: 1.48Crippen estimate
Polar surface area: 79.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5875-49-0

SMILES

CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O

InChIKey

KGGUASRIGLRPAX-LBPRGKRZSA-N

InChI

InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m0/s1

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Names and synonyms

1 names

(-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one

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Similar compounds

(+)-Columbianetin3804-70-465 % similar Meranzin23971-42-863 % similar 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-961 % similar Osthol484-12-854 % similar (+)-Heraclenol31575-93-649 % similar Murrayone19668-69-047 % similar Columbianetin acetate23180-65-645 % similar Marmesin13849-08-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ulopterol28095-18-3

Elsewhere

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