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Fumitremorgin B

CAS Registry Number®

12626-17-4

CAS Name

Fumitremorgin B

Molecular Formula

C27H33N3O5

Molecular Mass

479.57

Cite this Page

Fumitremorgin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12626-17-4 (retrieved 2024-12-23) (CAS RN: 12626-17-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1

InChIKey

InChIKey=WEIYXEFMCIRZHC-MWGWWEMPSA-N

SMILES

C(=C(C)C)[C@H]1C2=C(C=3C(N2CC=C(C)C)=CC(OC)=CC3)[C@H](O)[C@]4(O)N1C(=O)[C@]5(N(C4=O)CCC5)[H]

Canonical SMILES

O=C1N2C(C=C(C)C)C3=C(C=4C=CC(OC)=CC4N3CC=C(C)C)C(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-11-(3-methyl-2-buten-1-yl)-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-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, [5aR-(5aα,6α,12β,14aα)]-
  • 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-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5aR,6S,12S,14aS)-
  • (5aR,6S,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-buten-1-yl)-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
  • Fumitremorgin B

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Deleted or Replaced CAS Registry Numbers

40451-43-2

CAS INSIGHTSTM
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