4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin
AlkaPlorer ID: AK022721
Synonym: None
IUPAC Name: (4E,8S,9S,10E,12S,13R,14S,16R)-9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraene-3,20,22-trione
Structure
SMILES: COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](OC)CC/C=C(\C)C(=O)NC(=CC1=O)C2=O
InChI: InChI=1S/C28H41NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h9,13-15,18,22-25,31-32H,8,10-12H2,1-7H3,(H,29,34)/b16-9+,17-13+/t15-,18+,22+,23+,24+,25-/m1/s1
InChIKey: STJZXLRSQNVEGC-XWNKJCCHSA-N
Source
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Properties Information
Molecule Weight: 519.6350000000003
TPSA？: 131.39
MolLogP？: 2.5294
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
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