Geldanamycin 0.01μM R05 exp235

PubChem Name: Geldanamycin

Synonyms: N/A

CAS #: 30562-34-6

PubChem CID: 5288382

IUPAC: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

INCHI Name: InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1

INCHI Key: QTQAWLPCGQOSGP-KSRBKZBZSA-N

Molecular Weight: 560.6

Canonical SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\\C)C)O)OC

Molecular Formula: C29H40N2O9

Supplier Name: Ark Pharm Inc.

Catalog #: AK130527

Lot #: WG0131921-180318001

HRMS (ESI-TOF) m/z: (M+Na)+ Calcd for C29 H40 N2 O9 583.2626; found 583.26208

Platform ID: Gelndanamycin

Min: 7.6058; Max: 99.7682