(2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

CAS Registry Number®

70497-14-2

CAS Name

(2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

Molecular Formula

C27H39N3O2

Molecular Mass

437.62

Cite this Page

(2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70497-14-2 (retrieved 2024-11-22) (CAS RN: 70497-14-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1

InChIKey

InChIKey=KISDGNGREAJPQR-OICBGKIFSA-N

SMILES

[C@@](CCC=C(C)C)(C=C)(C)C1=C2C3=C(N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC3=CN2)C=C1

Canonical SMILES

O=C1NC(CO)CC2=CNC3=C2C(=CC=C3C(C=C)(C)CCC=C(C)C)N(C)C1C(C)C

Other Names for this Substance

  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-
  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-(1-ethenyl-1,5-dimethyl-4-hexenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, [2S-[2R*,5R*,9(S*)]]-
  • 3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1R)-1-ethenyl-1,5-dimethyl-4-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-
  • (2S,5S)-9-[(1R)-1-Ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
  • Lyngbyatoxin A

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Deleted or Replaced CAS Registry Numbers

56645-57-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration