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Substance Name: 21-Hydroxyoligomycin A
RN: 102042-09-1
InChIKey: PIKJILHUPCWBCA-NMZLQNICSA-N

Molecular Formula

  • C45-H74-O12

Molecular Weight

  • 807.068
 
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Names and Synonyms

Name of Substance

  • 21-Hydroxyoligomycin A

Synonym

  • 21-Hydroxyl-oligomycin A

Systematic Name

  • Oligomycin A, 21-hydroxy-

Registry Numbers

CAS Registry Number

  • 102042-09-1

System Generated Number

  • 0102042091

Structure Descriptors

InChI

1S/C45H74O12/c1-12-33-17-15-13-14-16-27(4)43(10,53)44(11,54)42(52)31(8)41(51)30(7)40(50)29(6)39(49)26(3)18-19-38(48)55-37-24-34(23-35(33)47)56-45(32(37)9)21-20-25(2)36(57-45)22-28(5)46/h13-15,17-19,25-37,39,41,46-47,49,51,53-54H,12,16,20-24H2,1-11H3/b14-13+,17-15+,19-18+/t25-,26-,27+,28+,29-,30-,31-,32-,33-,34?,35?,36-,37?,39+,41+,43-,44-,45?/m0/s1

InChIKey

PIKJILHUPCWBCA-NMZLQNICSA-N

Smiles

C1C[C@@]2(O[C@@H]3C[C@@H]([C@@H]2C)OC(C=C[C@@H]([C@@H](O)[C@H](C)C(=O)[C@@H]([C@@H](O)[C@H](C)C([C@]([C@@]([C@@H](CC=CC=C[C@H](CC)[C@@H](O)C3)C)(C)O)(C)O)=O)C)C)=O)O[C@H]([C@H]1C)C[C@H](O)C