Chetomin

CAS Registry Number®

1403-36-7
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CAS Name

Chetomin

Molecular Formula

C31H30N6O6S4

Molecular Mass

710.87

Cite this Page

Chetomin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1403-36-7 (retrieved 2024-04-30) (CAS RN: 1403-36-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1

InChIKey

InChIKey=ZRZWBWPDBOVIGQ-YWZWRZHGSA-N

SMILES

O=C1N2[C@@]3([C@](C[C@]24C(=O)N(C)[C@@]1(CO)SS4)(C=5C(N3)=CC=CC5)N6C=7C(C(C[C@]89C(=O)N(C)[C@](CO)(C(=O)N8C)SS9)=C6)=CC=CC7)[H]

Canonical SMILES

O=C1N(C)C2(SSC1(N(C2=O)C)CO)CC3=CN(C=4C=CC=CC43)C56C=7C=CC=CC7NC6N8C(=O)C9(SSC8(C(=O)N9C)C5)CO

Other Names for this Substance

  • 3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione, 2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3S,5aR,10bS,11aS)-
  • Chaetomin
  • 3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole, chaetomin deriv.
  • 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane, chaetomin deriv.
  • (3S,5aR,10bS,11aS)-2,3,5a,6,10b,11-Hexahydro-3-(hydroxymethyl)-10b-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-3,11a-epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione

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Deleted or Replaced CAS Registry Numbers

1390-81-4, 35808-58-3

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