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3H-Indolizino[8,7-b]indol-3-one, 1-[3-(acetyloxy)propyl]-1-ethyl-1,2,5,6,11,11b-hexahydro-, trans-(.+-.)-
SpectraBase Compound ID 1MXtgZcOCPm
InChI InChI=1S/C21H26N2O3/c1-3-21(10-6-12-26-14(2)24)13-18(25)23-11-9-16-15-7-4-5-8-17(15)22-19(16)20(21)23/h4-5,7-8,20,22H,3,6,9-13H2,1-2H3/t20-,21+/m0/s1
InChIKey SSDIGCRDTKQHBZ-LEWJYISDSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Biz3zhCvhCM
Name 3H-Indolizino[8,7-b]indol-3-one, 1-[3-(acetyloxy)propyl]-1-ethyl-1,2,5,6,11,11b-hexahydro-, trans-(.+-.)-
Alternate Name(s) 3-[(1R,11bR)-1-ethyl-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indol-1-yl]propyl acetate Acetate of 1.beta.-ethyl-1,2,5,11,11b.beta.-hexahydro-1.alpha.-(3-hydroxypropyl)-3H-indolizino[8,7-b]indol-3-one
CAS Registry Number 78892-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-3-21(10-6-12-26-14(2)24)13-18(25)23-11-9-16-15-7-4-5-8-17(15)22-19(16)20(21)23/h4-5,7-8,20,22H,3,6,9-13H2,1-2H3/t20-,21+/m0/s1
InChIKey SSDIGCRDTKQHBZ-LEWJYISDSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C(C[C@@]1(CC)CCCOC(=O)C)=O)[H]
SPLASH splash10-0v4i-0908000000-26130b37a2d81ae71505
Source of Spectrum K-114-1936-0
Wiley ID 1344757