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Substance Name: Simaomicin alpha
RN: 100157-22-0
InChIKey: DQPBSXMRMTWOAQ-UHFFFAOYSA-N

Note

  • From an actinomycete strain.

Molecular Formula

  • C28-H25-N-O10

Molecular Weight

  • 535.503
 
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Names and Synonyms

Name of Substance

  • Simaomicin alpha

Synonym

  • LL D42067alpha

Systematic Name

  • 2H-Xantheno(2',3':6,7)(1,3)benzodioxino(4,5-fg)isoquinoline-1,15-dione, 7a,8,11,12,13,14-hedahydro-11,14,16,17-tetrahydroxy-9-methoxy-2,3-dimethyl-, (7aalpha,11beta,14alpha)-(+)-

Registry Numbers

CAS Registry Number

  • 100157-22-0

System Generated Number

  • 0100157220

Structure Descriptors

InChI

1S/C28H25NO10/c1-9-6-10-16(28(35)29(9)2)22(33)19-15-11(7-14-18(19)24(10)38-8-37-14)25(36-3)27-20(21(15)32)23(34)17-12(30)4-5-13(31)26(17)39-27/h6,12-14,30-33H,4-5,7-8H2,1-3H3

InChIKey

DQPBSXMRMTWOAQ-UHFFFAOYSA-N

Smiles

c1(c2c(oc3c1[C@@H](CC[C@@H]3O)O)c(c1c(c3c4c(c5c(c3O)c(n(c(c5)C)C)=O)OCO[C@@H]4C1)c2O)OC)=O