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(exo)-9,10-Epithio-1.beta.-[3'-(diethylamino)propionyloxy]-4.beta.-methoxy-(octahydro)anthracene
SpectraBase Compound ID DZZk7wPqzQy
InChI InChI=1S/C22H31NO3S/c1-4-23(5-2)13-12-18(24)26-17-11-10-16(25-3)19-20(17)22-15-9-7-6-8-14(15)21(19)27-22/h6-9,16-17,19-22H,4-5,10-13H2,1-3H3/t16?,17?,19?,20?,21-,22+/m0/s1
InChIKey SBUOVAHBFDESED-LZVLFKEMSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZCXei1VzdO
Name (exo)-9,10-Epithio-1.beta.-[3'-(diethylamino)propionyloxy]-4.beta.-methoxy-(octahydro)anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3S
InChI InChI=1S/C22H31NO3S/c1-4-23(5-2)13-12-18(24)26-17-11-10-16(25-3)19-20(17)22-15-9-7-6-8-14(15)21(19)27-22/h6-9,16-17,19-22H,4-5,10-13H2,1-3H3/t16?,17?,19?,20?,21-,22+/m0/s1
InChIKey SBUOVAHBFDESED-LZVLFKEMSA-N
Molecular Weight 389.554 g/mol
SMILES C12[C@@]3(S[C@](C2C(OC)CCC1OC(CCN(CC)CC)=O)(c1ccccc31)[H])[H]
SPLASH splash10-000i-9201000000-70336503bcaa6ffae0dc
Source of Spectrum D8-324-436-10
Wiley ID 1514090