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Substance Name: Sporidesmin J
RN: 69799-25-3
UNII: Y7B4283R4S
InChIKey: QMMDQXDENCYFDX-UNTBTUBKSA-N

Molecular Formula

  • C17-H18-Cl-N3-O6-S2

Molecular Weight

  • 459.9292
 
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Names and Synonyms

Name of Substance

  • Sporidesmin J

Synonym

  • UNII-Y7B4283R4S

Systematic Name

  • 3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione,9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3-dimethyl-, (3R,5aR,10bS,11R,11aR)-

Registry Numbers

CAS Registry Number

  • 69799-25-3

FDA UNII

  • Y7B4283R4S

System Generated Number

  • 0069799253

Structure Descriptors

InChI

1S/C17H18ClN3O6S2/c1-15-13(23)21-12-16(25,11(22)17(21,29-28-15)14(24)20(15)2)6-5-7(18)9(26-3)10(27-4)8(6)19-12/h5,11-12,19,22,25H,1-4H3/t11-,12-,15-,16-,17-/m1/s1

InChIKey

QMMDQXDENCYFDX-UNTBTUBKSA-N

Smiles

COc1c(Cl)cc2c(N[C@@H]3N4C(=O)[C@@]5(C)SS[C@]4([C@H](O)[C@]23O)C(=O)N5C)c1OC