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WORTMANNIN CAS#: 19545-26-7
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameWORTMANNINIUPAC Namenonadeca-2(10),12(19),14-trien-3-yl] acetateMolecular StructureCAS Registry Number 19545-26-7EINECS Number606-337-5MDL NumberMFCD00133927Beilstein Registry Number67676Synonymswortmannin19545-26-7WartmanninKY 12420Antibiotic SL-2052SL-2052MFCD00133927NSC221019XVA4O219QWKY-12420MLS002703028CHEMBL428496CHEBI:52289NSC-627609(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furoindenoisochromen-11-yl acetateC23H24O8(1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclononadeca-2(10),12(19),14-trien-3-yl acetate(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furoindenoisochromen-11-yl acetate(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furoindenoisochromen-11-yl acetate.(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1--3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furoindenoisochromen-11-yl acetateUNII-XVA4O219QWwortmaninNSC627609Wortmannin, Wm3H-FURO(4,3,2-DE)INDENO(4,5-H)-2-BENZOPYRAN-3,6,9-TRIONE, 11-(ACETYLOXY)-1,6B,7,8,9A,10,11,11B-OCTAHYDRO-1-(METHOXYMETHYL)-9A,11B-DIMETHYL-, (1S,6BR,9AS,11R,11BR)-3H-Furoindeno-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-SL-2052;KY-12420nchembio866-comp1NSC 627609BRN 0067676WORTMANNIN (+)-WORTMANNINSCHEMBL4531BSPBio_0012324-19-00-03134 (Beilstein Handbook Reference)cid_312145GTPL6060MEGxm0_000446DTXSID8040642Wortmannin,Penicillium wortmanninACon0_000951BDBM15234HMS1792N13HMS1990N13HMS3403N13Wortmannin, Penicillium funiculosumEX-A1930s2758ST-415AKOS027327288Wortmannin - CAS 19545-26-7CCG-208290CS-5073DB08059KY12420NSC-221019Wortmannin, from Penicillium funiculosumWortmannin; SL-2052; KY-12420NCGC00163485-01NCGC00163485-02AC-35862BS-16306HY-10197NCI60_001835SMR001566836W0007CU-00000000011-1J-012661BRD-K87343924-001-02-43,2-DE]INDENOBENZOPYRAN-11-YL ACETATEWortmannin, from Penicillium funiculosum, >=98% (HPLC and TLC)3H-furoindeno-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,(1R,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3H-furoindenoisochromen-11-yl acetate(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furoindenoisochromen-11-ylacetate(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1--3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FUROnonadeca-2(10),12(19),14-trien-3-yl] acetate2-Oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-3H-Furoindeno-2-benzopyran-3,6,9-trione, 11-(Acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR)3H-Furoindeno-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR)3H-Furoindeno-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-3H-Furoindeno-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, -Molecular FormulaC23H24O8Molecular Weight428.4InChIInChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1InChI KeyQDLHCMPXEPAAMD-QAIWCSMKSA-NIsomeric SMILESCC(=O)O1C2((CCC2=O)C3=C14((OC(=O)C5=COC(=C54)C3=O)COC)C)C 

Physical Data

AppearanceWhite or off-white powder

Spectra

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Wortmannin CAS 19545-26-7

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH300 (100%): Fatal if swallowed H310 (100%): Fatal in contact with skin H330 (100%): Fatal if inhaled Precautionary Statement CodesP260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

HS CodeStorageStore at -20°C for long time, sealed and away from light.Shelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight428.439logP0.714HBA7HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)109.11Rotatable Bond (RotB)4Matching Veber Rules2

Use PatternWORTMANNIN CAS#: 19545-26-7 is a fungal metabolite, a product of Penicillium, and a specific inhibitor of phosphatidylinositol 3-kinase (PI3K). Mainly used in pharmaceutical intermediates.
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