Verruculogen TR 2

CAS Registry Number®

51177-07-2
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CAS Name

Verruculogen TR 2

Molecular Formula

C22H27N3O6

Molecular Mass

429.47

Cite this Page

Verruculogen TR 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51177-07-2 (retrieved 2024-09-19) (CAS RN: 51177-07-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1

InChIKey

InChIKey=PIWNJAZCHHBADQ-MECALSEWSA-N

SMILES

O[C@]12N([C@@H](CC(C)(C)O)C3=C([C@@H]1O)C=4C(N3)=CC(OC)=CC4)C(=O)[C@]5(N(C2=O)CCC5)[H]

Canonical SMILES

O=C1N2C(C=3NC=4C=C(OC)C=CC4C3C(O)C2(O)C(=O)N5CCCC15)CC(O)(C)C

Other Names for this Substance

  • 5H,14H-Pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, (5aR,6S,12S,14aS)-
  • 5H,14H-Pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-, [5aR-(5aα,6α,12β,14aα)]-
  • (5aR,6S,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-5a,6-dihydroxy-12-(2-hydroxy-2-methylpropyl)-9-methoxy-5H,14H-pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione
  • TR 2
  • Verruculogen TR 2

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