Columbianetin acetate
Properties
- Molecular formula
- C16H16O5
- Molar mass
- 288.30 g/mol
- Exact mass
- 288.0998 Da
- logP
- 2.44Crippen estimate
- Polar surface area
- 65.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
23180-65-6SMILES
CC(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1InChIKey
IQTTZQQJJBEAIM-ZDUSSCGKSA-NInChI
InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3/t13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-
- 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, acetate
- 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (S)-
- (8S)-8-[1-(Acetyloxy)-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
- Libanoridin
- 8(S)-O-Acetyl-8,9-dihydrooroselol
- O-Acetylcolumbianetin
Work with Columbianetin acetate
Similar compounds
Columbianadin5058-13-971 % similar
(+)-Columbianetin3804-70-462 % similar
Meranzin23971-42-858 % similar
8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one5875-49-045 % similar
Osthol484-12-844 % similar
(+)-Pteryxin13161-75-643 % similar
Praeruptorin A73069-25-743 % similar
Praeruptorin A73069-27-943 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds