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Substance Name: Candidoin
RN: 65776-69-4
InChIKey: PYGSGGUCVLQNHZ-RJLNYRKHSA-N

Note

  • Component of candidin complex from Streptomyces viridoflavus.

Molecular Weight

  • 1048.2219
 
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Names and Synonyms

Name of Substance

  • Candidoin

Systematic Name

  • Candidoin

Registry Numbers

CAS Registry Number

  • 65776-69-4

System Generated Number

  • 0065776694

Structure Descriptors

InChI

1S/C54H81NO19/c1-30-21-22-36(56)23-37(57)24-38(58)27-45(64)70-33(4)32(3)52(74-46-29-44(63)49(65)34(5)71-46)31(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-40(73-54-51(67)48(55)50(66)35(6)72-54)28-43(62)47(53(68)69)42(61)26-39(59)25-41(30)60/h7-20,30-35,37-38,40-43,46-52,54,57-58,60-62,65-67H,21-29,55H2,1-6H3,(H,68,69)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t30?,31?,32?,33?,34-,35-,37?,38?,40?,41?,42?,43?,46?,47?,48-,49-,50+,51-,52?,54?/m0/s1

InChIKey

PYGSGGUCVLQNHZ-RJLNYRKHSA-N

Smiles

C[C@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)OC3CC(=O)[C@H]([C@@H](O3)C)O)C)C)O)O)C)O)O)C(=O)O)O)O)N)O