(+)-Chaetocin

CAS Registry Number®

28097-03-2

CAS Name

(+)-Chaetocin

Molecular Formula

C30H28N6O6S4

Molecular Mass

696.84

Cite this Page

(+)-Chaetocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28097-03-2 (retrieved 2024-11-22) (CAS RN: 28097-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1

InChIKey

InChIKey=PZPPOCZWRGNKIR-PNVYSBBASA-N

SMILES

O=C1N2[C@@]3([C@@](C=4C(N3)=CC=CC4)(C[C@]25C(=O)N(C)[C@@]1(CO)SS5)[C@@]67[C@@](N8[C@]9(C6)C(=O)N(C)[C@](CO)(C8=O)SS9)(NC=%10C7=CC=CC%10)[H])[H]

Canonical SMILES

O=C1N(C)C2(SSC13N(C2=O)C4NC=5C=CC=CC5C4(C3)C67C=8C=CC=CC8NC7N9C(=O)C%10(SSC9(C(=O)N%10C)C6)CO)CO

Other Names for this Substance

  • [10b,10′b(11H,11′H)-Bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone, 2,2′,3,3′,5a,5′a,6,6′-octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl-, (3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-
  • Chaetocin
  • Chetocin
  • 3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole, bimol. deriv.
  • (3S,3′S,5aR,5′aR,10bR,10′bR,11aS,11′aS)-2,2′,3,3′,5a,5′a,6,6′-Octahydro-3,3′-bis(hydroxymethyl)-2,2′-dimethyl[10b,10′b(11H,11′H)-bi-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone

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Deleted or Replaced CAS Registry Numbers

31794-18-0

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