Evernimicin

CAS Registry Number®

109545-84-8

CAS Name

Evernimicin

Molecular Formula

C70H97Cl2NO38

Molecular Mass

1631.41

Cite this Page

Evernimicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109545-84-8 (retrieved 2024-11-22) (CAS RN: 109545-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1

InChIKey

InChIKey=UPADRKHAIMTUCC-OWALTSPQSA-N

SMILES

O(C(=O)C1=C(C)C=C(O)C=C1O)[C@H]2[C@]3([C@]([C@@]4(O[C@@]5([C@@](O4)(CO[C@@H](O[C@H]6[C@@H](OC)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@@H](O)[C@]9(C)[C@@]([C@@H](C)O8)(O[C@@]%10(O9)C[C@@H](O)[C@H](O[C@H]%11C[C@@H](O[C@H]%12C[C@@](N(=O)=O)(C)[C@@H](OC)[C@H](C)O%12)[C@H](OC(=O)C%13=C(OC)C(Cl)=C(O)C(Cl)=C%13C)[C@@H](C)O%11)[C@@H](C)O%10)[H])[C@@H](OC)[C@@H](C)O7)[C@@H](COC)O6)[C@@H]5O)[H])[H])OC2)(OCO3)[H])[H]

Canonical SMILES

O=C(OC1COC2(OC3COC(OC4OC(COC)C(OC5OC(C)C(OC)C(OC6OC(C)C7OC8(OC(C)C(OC9OC(C)C(OC(=O)C=%10C(OC)=C(Cl)C(O)=C(Cl)C%10C)C(OC%11OC(C)C(OC)C(N(=O)=O)(C)C%11)C9)C(O)C8)OC7(C)C6O)C5O)C(O)C4OC)C(O)C3O2)C%12OCOC1%12)C=%13C(O)=CC(O)=CC%13C

Other Names for this Substance

  • β-D-Mannopyranoside, O-(1R)-4-O-(2,4-dihydroxy-6-methylbenzoyl)-2,3-O-methylene-D-xylopyranosylidene-(1→3-4)-α-L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl-(1→3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-6-deoxy-3-C-methyl-β-D-mannopyranosyl-(1→3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1→4)-2,6-di-O-methyl-
  • Flambamycin, 56-deacetyl-57-demethyl-45-O-de(2-methyl-1-oxopropyl)-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl)-, 56-(2,4-dihydroxy-6-methylbenzoate)
  • 2,4′-Spirobi[4H-1,3-dioxolo[4,5-c]pyran], flambamycin deriv.
  • Spiro[4H-1,3-dioxolo[4,5-c]pyran-2,2′-[2H]pyran], flambamycin deriv.
  • O-(1R)-4-O-(2,4-Dihydroxy-6-methylbenzoyl)-2,3-O-methylene-D-xylopyranosylidene-(1→3-4)-α-L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl-(1→3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-(1R)-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-6-deoxy-3-C-methyl-β-D-mannopyranosyl-(1→3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1→4)-2,6-di-O-methyl-β-D-mannopyranoside

View All

Deleted or Replaced CAS Registry Numbers

104841-32-9, 53024-98-9