CC(=O)c1c(Br)n([C@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c2cc(Cl)c(Cl)cc12

Name: 5,6-Dichloro-2-bromo-3-acetyl-1-[3,5-di-O-(p-toluoyl)-2-deoxy-β-D-ribofuranosyl]indole

IUPAC: [(2R,3S,5R)-5-(3-acetyl-2-bromo-5,6-dichloroindol-1-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

SMILES: CC(=O)c1c(Br)n([C@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c2cc(Cl)c(Cl)cc12

Canonical SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C4=CC(=C(C=C4C(=C3Br)C(=O)C)Cl)Cl)OC(=O)C5=CC=C(C=C5)C

Summenformel: C31H26BrCl2NO6

Molare Masse: 659.30

InChIKey: FWKJZCSACCLKPR-OYUWMTPXSA-N

InChI:

InChI=1S/C31H26BrCl2NO6/c1-16-4-8-19(9-5-16)30(37)39-15-26-25(41-31(38)20-10-6-17(2)7-11-20)14-27(40-26)35-24-13-23(34)22(33)12-21(24)28(18(3)36)29(35)32/h4-13,25-27H,14-15H2,1-3H3/t25-,26+,27+/m0/s1

PubChem CID: 67099812 →

Synonyme

SCHEMBL1626905FWKJZCSACCLKPR-OYUWMTPXSA-N5,6-dichloro-2-bromo-3-acetyl-1-[3,5-di-o-(p-toluoyl)-2-deoxy-beta-d-ribofuranosyl]indole

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