eremomycin
[CAS# 110865-90-2]

Identification

• Name: eremomycin
• Synonyms: Eremomycin; Stock1n-45086
• Molecular Formula: C₇₃H₈₉ClN₁₀O₂₆
• Molecular Weight: 1558.01
• CAS Registry Number: 110865-90-2
• SMILES: [C@H]5%11NC(=O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC)CC(C)C)[C@H](O)C8=CC=C(OC2=CC1=CC(=C2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@H](O)[C@@](N)(C4)C)C)CO)OC7=CC=C([C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@](N)(C6)C)C)C=C7)C(=C8)Cl)CC(=O)N)C9=CC=C(O)C(=C9)C%10=C(O)C=C(O)C=C%10[C@H](NC%11=O)C(=O)O
• InChI: 1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1
• InChIKey: UECIPBUIMXSXEI-BNSVOVDNSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)