Candidin

CAS Registry Number®

1405-90-9
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CAS Name

Candidin

Molecular Formula

C47H71NO17

Molecular Mass

922.06

Cite this Page

Candidin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1405-90-9 (retrieved 2024-05-15) (CAS RN: 1405-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8-,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

InChIKey

InChIKey=IBRQTOKMQLIMRF-DFVZELRGSA-N

SMILES

C(O)(=O)[C@H]1[C@]2(O[C@@](O)(C[C@@H]1O)C[C@@H](O)[C@H](O)CCC(=O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C\C=C\C=C\[C@H](O[C@H]3[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O3)C2)[H]

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(O)C(C)C(OC(=O)CC(O)CC(O)CC(=O)CCC(O)C(O)C2)C

Other Names for this Substance

  • Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-, (10R)-
  • Candidin
  • 14,39-Dioxabicyclo[33.3.1]nonatriacontane, amphotericin B deriv.
  • (10R)-8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B
  • Candidine

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