Agrimonolide

(3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one

Also Known As: Agrimonolide|Agrimonolid|MEGxp0_000428|HY-N2830|NP1093|TN3364|(3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one|3,4-Dihydro-6,8-dihydroxy-3-(2-(4-methoxyphenyl)ethyl)-1H-2-benzopyran-1-one|(3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one|(S)-3,4-Dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-1H-2-benzopyran-1-one|1h-2-benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(2-(4-methoxyphenyl)ethyl)-,(s)-|Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(p-methoxyphenethyl)-, (S)-|(3S)-6,8-Dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-is ochromen-1-one|(3S)-6,8-DIHYDROXY-3-[2-(4-METHOXYPHENYL)ETHYL]-3,4-DIHYDRO-2-BENZOPYRAN-1-ONE|1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(2-(4-methoxyphenyl)ethyl)-, (S)-|1H-2-Benzopyran-1-one,3,4-dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-, (3S)-|6,8-Dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one

Molecular Formula	C18H18O5
Molecular Weight	314.11542 g/mol
LogP	4.0
Topological Polar Surface Area	76.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	314.11542
Monoisotopic Mass	314.11542
Heavy Atoms	23
Complexity	404.0

Chemical Identifiers

CAS Number	24609-91-4
SMILES	COC1=CC=C(C=C1)CC[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2
InChIKey	TYFJTEPDESMEHE-HNNXBMFYSA-N