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FLUSTRAMINE_L
SpectraBase Compound ID KOVHAREm1a5
InChI InChI=1S/C21H29BrN2O/c1-13(2)6-7-15-12-16(22)18-17(19(15)25)21(9-8-14(3)4)10-11-24(5)20(21)23-18/h6,8,12,20,23,25H,7,9-11H2,1-5H3/t20-,21-/m0/s1
InChIKey HFPWSDSFBVKNTG-SFTDATJTSA-N
Mol Weight 405.38 g/mol
Molecular Formula C21H29BrN2O
Exact Mass 404.146327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HWPKJ3EqlU
Name Flustramine L
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29BrN2O
InChI InChI=1S/C21H29BrN2O/c1-13(2)6-7-15-12-16(22)18-17(19(15)25)21(9-8-14(3)4)10-11-24(5)20(21)23-18/h6,8,12,20,23,25H,7,9-11H2,1-5H3/t20-,21-/m0/s1
InChIKey HFPWSDSFBVKNTG-SFTDATJTSA-N
Molecular Weight 405.380 g/mol
SMILES Oc1c(cc(c2c1[C@]1([C@](N(CC1)C)(N2)[H])CC=C(C)C)Br)CC=C(C)C
SPLASH splash10-052s-1049600000-64ece5ebf43c3df0564a
Source of Spectrum G4-72-1780-9
Synonyms (3aS,8bS)-5-bromo-3-methyl-7,8b-bis(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-5-bromanyl-3-methyl-7,8b-bis(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
Wiley ID 1702191