Cynaropicrin
Properties
- Molecular formula
- C19H22O6
- Molar mass
- 346.38 g/mol
- Exact mass
- 346.1416 Da
- logP
- 1.06Crippen estimate
- Polar surface area
- 93.1 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 3
- Stereocentres
- S, R, S, R, R, Rin SMILES atom order
Hazards
Warning
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
35730-78-0SMILES
C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21InChIKey
KHSCYOFDKADJDJ-NQLMQOPMSA-NInChI
InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester
- 2-Propenoic acid, 2-(hydroxymethyl)-, dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3aα,4α,6aα,8β,9aα,9bβ)]-
- Azuleno[4,5-b]furan, 2-propenoic acid deriv.
- Cynaropikrin
Work with Cynaropicrin
Similar compounds
(-)-Dehydrocostus lactone477-43-036 % similar
(+)-Isoalantolactone470-17-730 % similar
Eupalinolide B877822-40-730 % similar
Eupalinolide A877822-41-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds