(2′S,3R,5′R,5aR,8S,8aS,9aR)-8-(Acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethylspiro[8H-3,9a-epithio-7H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2′(3′H)-furan]-1,3′,4-trione

CAS Registry Number®

64542-78-5

CAS Name

(2′S,3R,5′R,5aR,8S,8aS,9aR)-8-(Acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethylspiro[8H-3,9a-epithio-7H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2′(3′H)-furan]-1,3′,4-trione

Molecular Formula

C20H26N2O8S

Molecular Mass

454.50

Cite this Page

(2′S,3R,5′R,5aR,8S,8aS,9aR)-8-(Acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethylspiro[8H-3,9a-epithio-7H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2′(3′H)-furan]-1,3′,4-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64542-78-5 (retrieved 2025-05-09) (CAS RN: 64542-78-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26N2O8S/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1

InChIKey

InChIKey=ITMLCHOGYDYPNT-OQIMMBKLSA-N

SMILES

O=C1[C@@]23N([C@]4([C@@](O)(C2)[C@H](OC(C)=O)[C@@]5(C4)C(=O)C(C)(C)[C@@H](C)O5)[H])C(=O)[C@@](CO)(S3)N1C

Canonical SMILES

O=C(OC1C2(OC(C)C(C2=O)(C)C)CC3N4C(=O)C5(SC4(C(=O)N5C)CC13O)CO)C

Other Names for this Substance

  • Spiro[8H-3,9a-epithio-7H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2′(3′H)-furan]-1,3′,4-trione, 8-(acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethyl-, (2′S,3R,5′R,5aR,8S,8aS,9aR)-
  • Sirodesmin A, 2,4a-de(epidithio)-2,4a-epithio-, (5′R,7α)-
  • Spiro[3,9a-epithio-9aH-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7(8H),2′(3′H)-furan]-1,3′,4-trione, 8-(acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethyl-, (2′S,3R,5′R,5aR,8S,8aS,9aR)-
  • Spiro[3,9a-epithio-9aH-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7(8H),2′(3′H)-furan], sirodesmin A deriv.
  • (2′S,3R,5′R,5aR,8S,8aS,9aR)-8-(Acetyloxy)octahydro-8a-hydroxy-3-(hydroxymethyl)-2,4′,4′,5′-tetramethylspiro[8H-3,9a-epithio-7H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2′(3′H)-furan]-1,3′,4-trione

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Deleted or Replaced CAS Registry Numbers

86258-54-0

CAS INSIGHTSTM
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