19-hydroxy-4,5-dihydrogeldanamycin
AlkaPlorer ID: AK031358
Synonym: '19-Hydroxy-4,5-dihydrogeldanamycin'
IUPAC Name: [(4Z,8S,9R,10Z,12S,13R,14S,16R)-13,22-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-yl] carbamate
Structure
SMILES: COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@@H](OC)CC/C=C(/C)C(=O)NC(=C(O)C1=O)C2=O
InChI: InChI=1S/C29H42N2O10/c1-14-11-18-23(33)21(24(34)25(35)27(18)40-7)31-28(36)15(2)9-8-10-19(38-5)26(41-29(30)37)17(4)13-16(3)22(32)20(12-14)39-6/h9,13-14,16,19-20,22,26,32,34H,8,10-12H2,1-7H3,(H2,30,37)(H,31,36)/b15-9-,17-13-/t14-,16+,19+,20+,22-,26-/m1/s1
InChIKey: BKZZKHOQQRRSTK-RTUGLECRSA-N
Source
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Properties Information
Molecule Weight: 578.6590000000003
TPSA？: 183.71
MolLogP？: 2.5181
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 2
Activities Information
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