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12,13-Dihydroxyfumitremorgin C

CAS Registry Number®

111427-99-7

CAS Name

12,13-Dihydroxyfumitremorgin C

Molecular Formula

C22H25N3O5

Molecular Mass

411.45

Cite this Page

12,13-Dihydroxyfumitremorgin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111427-99-7 (retrieved 2024-12-23) (CAS RN: 111427-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1

InChIKey

InChIKey=CPHRCQUGNAGVIB-FWJAZRMLSA-N

SMILES

O[C@]12N([C@@H](C=C(C)C)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=C(C)C)C=3NC=4C=C(OC)C=CC4C3C(O)C2(O)C(=O)N5CCCC15

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-9-methoxy-12-(2-methyl-1-propen-1-yl)-, (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-9-methoxy-12-(2-methyl-1-propenyl)-, [5aR-(5aα,6α,12β,14aα)]-
  • (5aR,6S,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-5a,6-dihydroxy-9-methoxy-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo[1′′,2′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-5,14-dione
  • TR 3
  • TR 3 toxin

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