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Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethylidene-2,3,4,4a,7,12-hexahydro-2-methyl-, methyl ester, [4aS-(4E,4a.alpha.,12a.alpha.)]-
SpectraBase Compound ID 3zW2292VL1Z
InChI InChI=1S/C21H24N2O2/c1-4-14-12-23(2)13-21(20(24)25-3)11-16-15-7-5-6-8-18(15)22-19(16)10-9-17(14)21/h4-10,17,22H,11-13H2,1-3H3/b14-4-/t17-,21-/m0/s1
InChIKey PINFESOBOLJRLX-VTACMIPZSA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzOfLGreP7Q
Name Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethylidene-2,3,4,4a,7,12-hexahydro-2-methyl-, methyl ester, [4aS-(4E,4a.alpha.,12a.alpha.)]-
Alternate Name(s) .alpha.-vinylindole 19-Debydroervatarnine Ervatamine, tetradehydro- Methyl (4E,4aS,12aR)-4-ethylidene-2-methyl-2,3,4,4a,7,12-hexahydropyrido[3',4':4,5]cyclohepta[1,2-b]indole-12a(1H)-carboxylate Tetradehydroervatamine
CAS Registry Number 33228-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-4-14-12-23(2)13-21(20(24)25-3)11-16-15-7-5-6-8-18(15)22-19(16)10-9-17(14)21/h4-10,17,22H,11-13H2,1-3H3/b14-4-/t17-,21-/m0/s1
InChIKey PINFESOBOLJRLX-VTACMIPZSA-N
Molecular Weight 336.435 g/mol
SMILES [nH]1c2c(c3c1C=C[C@@]1([C@](C3)(CN(C\C1=C/C)C)C(=O)OC)[H])cccc2
SPLASH splash10-001r-0937000000-164c751abd5c66c1eef8
Source of Spectrum B-28-1839-0
Wiley ID 1332663