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N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-5-bromanyl-N-pentyl-pentanamide
SpectraBase Compound ID A7iAMhaaUfU
InChI InChI=1S/C29H49BrN2O2/c1-5-6-9-20-32(27(34)10-7-8-19-30)25-14-12-22-21-11-13-24-28(2,18-16-26(33)31(24)4)23(21)15-17-29(22,25)3/h21-25H,5-20H2,1-4H3/t21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey HMRMTWUTVVIJSI-QTRBIBNASA-N
Mol Weight 537.6 g/mol
Molecular Formula C29H49BrN2O2
Exact Mass 536.297742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vK82QpwMdV
Name N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-5-bromanyl-N-pentyl-pentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49BrN2O2
InChI InChI=1S/C29H49BrN2O2/c1-5-6-9-20-32(27(34)10-7-8-19-30)25-14-12-22-21-11-13-24-28(2,18-16-26(33)31(24)4)23(21)15-17-29(22,25)3/h21-25H,5-20H2,1-4H3/t21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey HMRMTWUTVVIJSI-QTRBIBNASA-N
Molecular Weight 537.627 g/mol
SMILES [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(N(C(=O)CCCCBr)CCCCC)[H])[H])[H])[H])C
SPLASH splash10-004i-6920000000-515e47daa530e0accbb1
Source of Spectrum E1-38-1170-46
Synonyms N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-5-bromo-N-pentyl-pentanamide N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-amyl-5-bromo-valeramide
Wiley ID 1598269