Perimycin A

CAS Registry Number®

62327-61-1
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CAS Name

Perimycin A

Molecular Formula

C59H88N2O17

Molecular Mass

1097.33

Cite this Page

Perimycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62327-61-1 (retrieved 2024-05-02) (CAS RN: 62327-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H88N2O17/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-49(76-58-56(73)55(72)54(60)39(4)75-58)33-52-38(3)51(70)35-59(74,78-52)34-48(68)30-46(66)28-44(64)26-43(63)27-45(65)29-47(67)32-53(71)77-57(36)37(2)20-25-42(62)31-50(69)40-21-23-41(61-5)24-22-40/h6-19,21-24,36-39,42-44,46-49,51-52,54-58,61-64,66-68,70,72-74H,20,25-35,60H2,1-5H3/b7-6+,10-8+,11-9-,14-12+,15-13+,18-16+,19-17+/t36-,37-,38+,39+,42?,43+,44-,46-,47+,48-,49-,51-,52-,54+,55-,56-,57-,58-,59+/m0/s1

InChIKey

InChIKey=SIJFZOSSGXKJCI-LODZBFJASA-N

SMILES

C[C@H]1[C@]2(O[C@@](O)(C[C@@H]1O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)C[C@@H](O)CC(=O)O[C@]([C@H](CCC(CC(=O)C3=CC=C(NC)C=C3)O)C)([C@@H](C)/C=C/C=C/C=C/C=C/C=C\C=C\C=C\[C@H](O[C@H]4[C@@H](O)[C@@H](O)[C@H](N)[C@@H](C)O4)C2)[H])[H]

Canonical SMILES

O=C1OC(C(C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(N)C(O)C2O)CC3OC(O)(CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C1)CC(O)C3C)C)C(C)CCC(O)CC(=O)C4=CC=C(C=C4)NC

Other Names for this Substance

  • Candicidin D, 4′-amino-3′-deamino-18-decarboxy-40-demethyl-4′-deoxy-3,7-dideoxo-3,3′,7-trihydroxy-N47,18-dimethyl-5-oxo-, cyclic 15,19-hemiacetal
  • Perimycin A

Deleted or Replaced CAS Registry Numbers

65086-34-2

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