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Substance Name: Etheromycin
RN: 59149-05-2
InChIKey: IQVROGAJHRXENX-HXLMOCOFSA-N

Molecular Weight

  • 915.16
 
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Names and Synonyms

Name of Substance

  • Etheromycin

Synonym

  • CP-38295

Systematic Name

  • Septamycin, 5,15-didemethoxy-14-demethyl-5-hydroxy-27-methoxy-8,20-dimethyl-, (2S,3R,4R,5R,6S,7R,8S,27S)-

Registry Numbers

CAS Registry Number

  • 59149-05-2

System Generated Number

  • 0059149052

Structure Descriptors

InChI

1S/C48H82O16/c1-25(42(50)62-52)33-23-35(49)46(10,60-38-18-16-31(53-12)30(6)56-38)41(58-33)29(5)45(9)24-34(54-13)27(3)48(64-45)22-21-44(8,63-48)37-19-20-43(7,59-37)36-17-15-32(57-36)40-26(2)39(55-14)28(4)47(11,51)61-40/h25-41,49,51-52H,15-24H2,1-14H3/t25?,26-,27+,28+,29+,30+,31-,32?,33-,34+,35+,36?,37?,38-,39-,40?,41+,43?,44?,45-,46+,47-,48?/m0/s1

InChIKey

IQVROGAJHRXENX-HXLMOCOFSA-N

Smiles

[CH]1[C@H](O[C@@H]([C@@]([C@@H]1O)(O[C@H]1CC[C@@H]([C@H](O1)C)OC)C)[C@@H](C)[C@@]1(O[C@@]2(CC[C@@](O2)([C@@H]2CC[C@@](O2)([C@@H]2O[C@@H](CC2)[C@@H]2[C@H]([C@@H]([C@H]([C@@](O2)(C)O)C)OC)C)C)C)[C@@H]([C@@H](C1)OC)C)C)[C@@H](C(=O)OO)C