Fijiolide A; N-De-Ac 

AlkaPlorer ID: AK298337

Synonym: Fijiolide B

IUPAC Name: 19-amino-22,25-dichloro-4-[5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-17-one

Structure

SMILES: CN(C)C1C(O)C(O)C(OC23C=CC=C2C2=C(Cl)C4=CC=C2C3OC2=C(O)C=C(C=C2Cl)C(N)CC(=O)OCC4O)OC1(C)C

copy

InChI: InChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3

copy

InChIKey: SGICAIWTPRUYBA-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 663.551

TPSA: 164.17

MolLogP: 3.308300000000001

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information