40-Demethyl-7,15-dideoxo-9,19-dideoxy-15,19-epoxy-5,7,15-trihydroxycandicidin D

CAS Registry Number®

12698-99-6
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CAS Name

40-Demethyl-7,15-dideoxo-9,19-dideoxy-15,19-epoxy-5,7,15-trihydroxycandicidin D

Molecular Formula

C58H84N2O18

Molecular Mass

1097.29

Cite this Page

40-Demethyl-7,15-dideoxo-9,19-dideoxy-15,19-epoxy-5,7,15-trihydroxycandicidin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12698-99-6 (retrieved 2024-08-28) (CAS RN: 12698-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)

InChIKey

InChIKey=IDWJWYPAJJDASX-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C2OC(O)(CC1O)CC(O)CC(O)CCCC(O)CC(O)CC(=O)CC(=O)OC(C(CCC(CC(=O)C3=CC=C(N)C=C3)O)C)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC4C(O)C(N)C(O)C(C)O4)C2

Canonical SMILES

O=C(O)C1C(O)CC2(O)OC1CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC(C)C(OC(=O)CC(=O)CC(O)CC(O)CCCC(O)CC(O)C2)C(C)CCC(O)CC(=O)C4=CC=C(N)C=C4

Other Names for this Substance

  • Candicidin D, 40-demethyl-7,15-dideoxo-9,19-dideoxy-15,19-epoxy-5,7,15-trihydroxy-
  • 16,39-Dioxabicyclo[33.3.1]nonatriacontane, candicidin D deriv.
  • 40-Demethyl-7,15-dideoxo-9,19-dideoxy-15,19-epoxy-5,7,15-trihydroxycandicidin D
  • Trichomycin A