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Substance Name: (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate
RN: 121313-79-9
InChIKey: AJPXCMCOXRBREG-WUQJAFNESA-K

Note

  • From Micromonospora narashinoensis; a glucosyltransferase inhibitor.

Molecular Weight

  • 941.1549
 
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Names and Synonyms

Name of Substance

  • (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate

Synonym

  • M-Gtf1

Registry Numbers

CAS Registry Number

  • 121313-79-9

System Generated Number

  • 0121313799

Structure Descriptors

InChI

1S/C40H74O14S3.3Na/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36;;;/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b3-2+,33-28+;;;

InChIKey

AJPXCMCOXRBREG-WUQJAFNESA-K

Smiles

C/C=C/CCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]