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Substance Name: Emestrin
RN: 97816-62-1
InChIKey: VASYTSFNISZKEL-DCTKBWBHSA-N

Note

  • Isolated from Emericella species.

Molecular Formula

  • C27-H22-N2-O10-S2

Molecular Weight

  • 598.607
 
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Names and Synonyms

Name of Substance

  • Emestrin

Systematic Name

  • Emestrin

Registry Numbers

CAS Registry Number

  • 97816-62-1

System Generated Number

  • 0097816621

Structure Descriptors

InChI

1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-9-8-16-19(14)29(27)25(35)26(28,40-41-27)21(31)12-6-7-15(30)18(10-12)38-20-13(23(33)39-16)4-3-5-17(20)36-2/h3-11,16,19,21-22,30-32H,1-2H3/t16-,19+,21-,22+,26-,27+/m0/s1

InChIKey

VASYTSFNISZKEL-DCTKBWBHSA-N

Smiles

N12[C@]34C(N(C)[C@](SS4)([C@H](c4cc(Oc5c(C(O[C@@H]6[C@H]2C([C@H]3O)=COC=C6)=O)cccc5OC)c(cc4)O)O)C1=O)=O