(+)-Isoalantolactone
Properties
- Molecular formula
- C15H20O2
- Molar mass
- 232.32 g/mol
- Exact mass
- 232.1463 Da
- Melting point
- 157 °C (decomposes)
- logP
- 3.24Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, R, S, 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
470-17-7SMILES
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(=C)[C@@H]3C[C@H]12InChIKey
CVUANYCQTOGILD-QVHKTLOISA-NInChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,8aR,9aR)-
- Eudesma-4(14),11(13)-dien-12-oic acid, 8β-hydroxy-, γ-lactone
- Isoalantolactone
- Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3aα,4aα,8aβ,9aα)]-
- (3aR,4aS,8aR,9aR)-Decahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
- Isoallantolactone
- Isohelenin
- 5αH-Eudesma-4(15),11(13)-dien-12,8β-olide
- NSC 241036
Work with (+)-Isoalantolactone
Similar compounds
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Beta-Eudesmol473-15-442 % similar
Atractylenolide III73030-71-441 % similar
(-)-Dehydrocostus lactone477-43-036 % similar
Atractylenolide I73069-13-335 % similar
Parthenolide20554-84-134 % similar
Atractylon6989-21-533 % similar
(-)-Xanthatin26791-73-132 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.