Verticillin A

CAS Registry Number®

889640-30-6
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CAS Name

Verticillin A

Molecular Formula

C30H28N6O6S4

Molecular Mass

696.84

Cite this Page

Verticillin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=889640-30-6 (retrieved 2024-05-18) (CAS RN: 889640-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1

InChIKey

InChIKey=IMGTYEJTVRXGLW-LRESJZTJSA-N

SMILES

O[C@H]1[C@]2([C@@](N3[C@@]14C(=O)N(C)[C@](C)(C3=O)SS4)(NC=5C2=CC=CC5)[H])[C@@]67[C@@](N8[C@]9([C@H]6O)C(=O)N(C)[C@](C)(C8=O)SS9)(NC=%10C7=CC=CC%10)[H]

Canonical SMILES

O=C1N(C)C2(SSC13N(C2=O)C4NC=5C=CC=CC5C4(C3O)C67C=8C=CC=CC8NC7N9C(=O)C%10(SSC9(C(=O)N%10C)C6O)C)C

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-11,11′-dihydroxy-2,2′,3,3′-tetramethyl-, (3S,3′S,5aR,5′aR,10bS,10′bS,11S,11′S,11aS,11′aS)-
  • Verticillin A
  • 3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole, chaetocin deriv.
  • [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-11,11′-dihydroxy-2,2′,3,3′-tetramethyl-, [3S-[3α,5aβ,10bβ(3′R*,5′aS*,10′bR*,11′R*,11′aR*),11β,11aα]]-

Deleted or Replaced CAS Registry Numbers

32164-16-2

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