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16-Azaestrane, L-cysteine deriv.
SpectraBase Compound ID I29hca3BkXy
InChI InChI=1S/C23H32N2O4S/c1-4-29-22(27)19(24)12-30-25-13-23(2)10-9-17-16-8-6-15(28-3)11-14(16)5-7-18(17)20(23)21(25)26/h6,8,11,17-20H,4-5,7,9-10,12-13,24H2,1-3H3/t17?,18?,19-,20-,23+/m0/s1
InChIKey QEYFZPLIRPEPQM-UVEDLQPMSA-N
Mol Weight 432.6 g/mol
Molecular Formula C23H32N2O4S
Exact Mass 432.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HbQv88EVJH
Name 16-Azaestrane, L-cysteine deriv.
CAS Registry Number 119144-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O4S
InChI InChI=1S/C23H32N2O4S/c1-4-29-22(27)19(24)12-30-25-13-23(2)10-9-17-16-8-6-15(28-3)11-14(16)5-7-18(17)20(23)21(25)26/h6,8,11,17-20H,4-5,7,9-10,12-13,24H2,1-3H3/t17?,18?,19-,20-,23+/m0/s1
InChIKey QEYFZPLIRPEPQM-UVEDLQPMSA-N
Molecular Weight 432.579 g/mol
SMILES N[C@@](CSN1C([C@@]2(C3C(c4ccc(cc4CC3)OC)CC[C@@]2(C1)C)[H])=O)(C(=O)OCC)[H]
SPLASH splash10-0002-9200000000-34f8657828ebc92afad2
Source of Spectrum J-54-1909-23
Synonyms 2H-Naphth[2,1-e]isoindole, L-cysteine deriv. L-Cysteine, S-[(14.beta.)-3-methoxy-15-oxo-16-azaestra-1,3,5(10)-trien-16-yl]-, ethyl ester Ethyl (2R)-3-{[(3aR,11aS)-7-methoxy-11a-methyl-3-oxo-1,3,3a,3b,4,5,9b,10,11,11a-decahydro-2H-naphtho[2,1-e]isoindol-2-yl]sulfanyl}-2-aminopropanoate
Wiley ID 1382243