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Ingamine A

View entire compound with spectra: 1 MS (GC)

Ingamine A
SpectraBase Compound ID 5V5q8qM4aJW
InChI InChI=1S/C30H44N2O/c33-27-23-31-19-15-11-7-4-2-1-3-5-9-13-17-25-21-26-22-32-20-16-12-8-6-10-14-18-30(24-31,28(26)27)29(25)32/h1-2,5-7,9-11,21,26-29,33H,3-4,8,12-20,22-24H2/b2-1-,9-5-,10-6-,11-7-/t26-,27+,28?,29-,30-/m1/s1
InChIKey QESBCAGTXAIIFT-GYNFLGNHSA-N
Mol Weight 448.7 g/mol
Molecular Formula C30H44N2O
Exact Mass 448.345364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8jtbjtbyYU
Name Ingamine A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44N2O
InChI InChI=1S/C30H44N2O/c33-27-23-31-19-15-11-7-4-2-1-3-5-9-13-17-25-21-26-22-32-20-16-12-8-6-10-14-18-30(24-31,28(26)27)29(25)32/h1-2,5-7,9-11,21,26-29,33H,3-4,8,12-20,22-24H2/b2-1-,9-5-,10-6-,11-7-/t26-,27+,28?,29-,30-/m1/s1
InChIKey QESBCAGTXAIIFT-GYNFLGNHSA-N
Molecular Weight 448.695 g/mol
SMILES O[C@@]1(C2[C@]34[C@@]5(N(CCCC\C=C/CC4)C[C@]2(C=C5CC\C=C/C\C=C/C\C=C/CCN(C3)C1)[H])[H])[H]
SPLASH splash10-052g-4511900000-8f9320cab1fab546a7bb
Source of Spectrum F-50-6144-2
Synonyms (1S,2R,18R,20S)-16,22-diazapentacyclo[14.14.1.1(3,20).0(1,19).0(2,22)]dotriaconta-3(32),6,9,12,27-pentaen-18-ol
Wiley ID 1387368