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(3aS,8aS)-3a-((E)-3,7-Dimethyl-octa-2,6-dienyl)-1-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-4-ol
SpectraBase Compound ID 5Qfa0jKGqIz
InChI InChI=1S/C21H30N2O/c1-15(2)7-5-8-16(3)11-12-21-13-14-23(4)20(21)22-17-9-6-10-18(24)19(17)21/h6-7,9-11,20,22,24H,5,8,12-14H2,1-4H3/b16-11+/t20-,21-/m0/s1
InChIKey YXIHGJWSWBHRIE-IFLVGUDLSA-N
Mol Weight 326.48 g/mol
Molecular Formula C21H30N2O
Exact Mass 326.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwSRi9MXF4q
Name (3aS,8aS)-3a-((E)-3,7-Dimethyl-octa-2,6-dienyl)-1-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-4-ol
Alternate Name(s) 1-Methyl-3a-(3',7'-dimethylhepta-2',6'-dien-1'-yl)-4-hydroxy-2,3,3a,8a-tetrahydropyrrolo[4,5-b]indole Debromo-flustramine H (3aS,8bS)-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O
InChI InChI=1S/C21H30N2O/c1-15(2)7-5-8-16(3)11-12-21-13-14-23(4)20(21)22-17-9-6-10-18(24)19(17)21/h6-7,9-11,20,22,24H,5,8,12-14H2,1-4H3/b16-11+/t20-,21-/m0/s1
InChIKey YXIHGJWSWBHRIE-IFLVGUDLSA-N
Molecular Weight 326.484 g/mol
SMILES N1c2c(c(ccc2)O)[C@]2([C@@]1(N(C)CC2)[H])C\C=C\(CCC=C(C)C)C
SPLASH splash10-000j-4962000000-a29e842fedcd81683611
Source of Spectrum G4-72-1780-5
Wiley ID 1702195