Partricin B

CAS Registry Number®

76551-65-0

CAS Name

Partricin B

Molecular Formula

C58H84N2O19

Molecular Mass

1113.29

Cite this Page

Partricin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76551-65-0 (retrieved 2024-12-27) (CAS RN: 76551-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)

InChIKey

InChIKey=NVJUPMZQNWDHTL-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C2OC(O)(CC1O)CC(O)CC(O)CC(O)CC(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)CC(O)CC(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-3,7-dideoxo-3,7-dihydroxy-5-oxo-, cyclic 15,19-hemiacetal
  • 16,39-Dioxabicyclo[33.3.1]nonatriacontane, candicidin D deriv.
  • Partricin B

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