Sporidesmin

CAS Registry Number®

1456-55-9
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CAS Name

Sporidesmin

Molecular Formula

C18H20ClN3O6S2

Molecular Mass

473.95

Cite this Page

Sporidesmin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1456-55-9 (retrieved 2024-05-18) (CAS RN: 1456-55-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1

InChIKey

InChIKey=QTONANGUNATZOU-ICTVWZTPSA-N

SMILES

O[C@H]1[C@]23N([C@@]4([C@@]1(O)C=5C(N4C)=C(OC)C(OC)=C(Cl)C5)[H])C(=O)[C@](C)(N(C)C2=O)SS3

Canonical SMILES

O=C1N2C3N(C4=C(OC)C(OC)=C(Cl)C=C4C3(O)C(O)C52SSC1(N(C5=O)C)C)C

Other Names for this Substance

  • 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-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-
  • Sporidesmin
  • 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-2,3,6-trimethyl-, (3α,5aα,10bα,11β,11aα)-
  • (3R,5aR,10bS,11R,11aR)-9-Chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione
  • Sporidesmin A

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Deleted or Replaced CAS Registry Numbers

1378-20-7, 54868-51-8

CAS INSIGHTSTM
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