Columbianadin
Properties
- Molecular formula
- C19H20O5
- Molar mass
- 328.36 g/mol
- Exact mass
- 328.1311 Da
- Melting point
- 118–119 °C
- logP
- 3.38Crippen estimate
- Polar surface area
- 65.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
- Double bonds
- ZE/Z, in SMILES order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
5058-13-9SMILES
C/C=C(/C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1InChIKey
JRIBPWOXWIRQOQ-GHAIFCDISA-NInChI
InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Butenoic acid, 2-methyl-, 1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester, (2Z)-
- Crotonic acid, 2-methyl-, ester with 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one, (Z)-(S)-
- 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl)-1-methylethyl ester, [S-(Z)]-
- 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, 2-methylcrotonate, (Z)-(S)-
- 2H-Furo[2,3-h]-1-benzopyran, 2-butenoic acid deriv.
- Zosimin
- Columbianetin angelic ester
- Columbianetin angelate
- Columbianedin
Work with Columbianadin
Similar compounds
Columbianetin acetate23180-65-671 % similar
Praeruptorin B81740-07-056 % similar
(+)-Columbianetin3804-70-455 % similar
(+)-Pteryxin13161-75-653 % similar
Praeruptorin A73069-25-753 % similar
Praeruptorin A73069-27-953 % similar
Meranzin23971-42-852 % similar
Praeruptorin C72463-77-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.