6,9,14-Trihydroxy-7-drimen-12,11-olide; (6β,9α)-form, 6-O-(4-Nitrobenzoyl) 

AlkaPlorer ID: AK316555

Synonym: 9,14-Dihydroxy-6-(4-nitrobenzoyloxy)cinnamolide, Insulicolide A

IUPAC Name: [9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] 4-nitrobenzoate

Structure

SMILES: CC1(CO)CCCC2(C)C1C(OC(=O)C1=CC=C([N+](=O)[O-])C=C1)C=C1C(=O)OCC12O

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InChI: InChI=1S/C22H25NO8/c1-20(11-24)8-3-9-21(2)17(20)16(10-15-19(26)30-12-22(15,21)27)31-18(25)13-4-6-14(7-5-13)23(28)29/h4-7,10,16-17,24,27H,3,8-9,11-12H2,1-2H3

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InChIKey: ISKLVGANHNNXLD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 431.44100000000026

TPSA: 136.20000000000002

MolLogP: 2.1531000000000007

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information