(+)-Decursinol

C₁₄H₁₄O₄CAS 23458-02-8246.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O₄
Molar mass: 246.26 g/mol
Exact mass: 246.0892 Da
Melting point: 178 °C
logP: 1.87Crippen estimate
Polar surface area: 59.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

23458-02-8

SMILES

CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1O

InChIKey

BGXFQDFSVDZUIW-LBPRGKRZSA-N

InChI

InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (7S)-
2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (S)-(+)-
2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (S)-
(7S)-7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one
Decursinol
Smyrinol
Smirinol
(3S)-3-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one

Work with (+)-Decursinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Decursin5928-25-660 % similar Moracin P102841-46-358 % similar Nodakenin495-31-852 % similar Scoparone120-08-146 % similar Mulberroside C102841-43-044 % similar Isoscopoletin776-86-344 % similar 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-943 % similar Demethylsuberosin21422-04-842 % similar

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

Same formula

Diallyl terephthalate1026-92-2 Diallyl isophthalate1087-21-4 Diallyl phthalate131-17-9 Marmesin13849-08-6 (+)-Columbianetin3804-70-4 Nodakenetin495-32-9

Elsewhere

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