(+)-Heraclenol
Properties
- Molecular formula
- C16H16O6
- Molar mass
- 304.30 g/mol
- Exact mass
- 304.0947 Da
- Melting point
- 129–130 °C
- logP
- 2.05Crippen estimate
- Polar surface area
- 93.0 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
31575-93-6SMILES
CC(C)(O)[C@H](O)COc1c2occc2cc2ccc(=O)oc12InChIKey
FOINLJRVEBYARJ-LLVKDONJSA-NInChI
InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-, stereoisomer
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-, (R)-
- 5-Benzofuranacrylic acid, 7-(2,3-dihydroxy-3-methylbutoxy)-6-hydroxy-, δ-lactone
- 9-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
- Komalin
- Prangenin hydrate
- Heraclenol
- Heraclenin oxide
- NSC 306227
Work with (+)-Heraclenol
Similar compounds
(+)-Heraclenin2880-49-165 % similar
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Imperatorin482-44-053 % similar
8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one5875-49-049 % similar
8-Geranyloxypsoralen7437-55-048 % similar
Ulopterol28095-18-345 % similar
Xanthotoxol2009-24-745 % similar
(+)-Columbianetin3804-70-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds