(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

CAS Registry Number®

20485-01-2

CAS Name

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

Molecular Formula

C22H20N2O8S2

Molecular Mass

504.53

Cite this Page

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20485-01-2 (retrieved 2024-11-22) (CAS RN: 20485-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-215 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3/t15-,16-,17-,18-,21+,22+/m0/s1

InChIKey

InChIKey=OHTZNUUGYPDWEB-NEEVBFIGSA-N

SMILES

O=C1[C@@]23N([C@]4(C(C2)=COC=C[C@@H]4OC(C)=O)[H])C(=O)[C@]5(N1[C@]6(C(C5)=COC=C[C@@H]6OC(C)=O)[H])SS3

Canonical SMILES

O=C(OC1C=COC=C2CC34SSC5(C(=O)N3C21)N(C4=O)C6C(=COC=CC6OC(=O)C)C5)C

Other Names for this Substance

  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-, (5S,5aS,7aR,13S,13aS,15aR)-
  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, diacetate (ester)
  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-, [5S-(5α,5aα,7aβ,13α,13aα,15aβ)]-
  • (5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione
  • LL-S 88α

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Deleted or Replaced CAS Registry Numbers

25825-50-7, 29864-56-0

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