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D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, 7-acetate, trans- .alpha.-
SpectraBase Compound ID 1IbKsU2yA3W
InChI InChI=1S/C20H36N2O7S/c1-6-7-12-8-13(22(4)9-12)19(27)21-14(10(2)28-11(3)23)18-16(25)15(24)17(26)20(29-18)30-5/h10,12-18,20,24-26H,6-9H2,1-5H3,(H,21,27)/t10-,12-,13+,14?,15+,16-,17-,18-,20-/m1/s1
InChIKey BOPLAQJJVDXYGP-FRPLKXPASA-N
Mol Weight 448.6 g/mol
Molecular Formula C20H36N2O7S
Exact Mass 448.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk7JMkvxSuo
Name D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, 7-acetate, trans- .alpha.-
Alternate Name(s) 7-Acetoxylincomycin Methyl 7-O-acetyl-6-deoxy-6-methyl-7-C-{[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino}-1-thioheptopyranoside
CAS Registry Number 17147-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36N2O7S
InChI InChI=1S/C20H36N2O7S/c1-6-7-12-8-13(22(4)9-12)19(27)21-14(10(2)28-11(3)23)18-16(25)15(24)17(26)20(29-18)30-5/h10,12-18,20,24-26H,6-9H2,1-5H3,(H,21,27)/t10-,12-,13+,14?,15+,16-,17-,18-,20-/m1/s1
InChIKey BOPLAQJJVDXYGP-FRPLKXPASA-N
Molecular Weight 448.575 g/mol
SMILES O[C@@]1([C@@]([C@]([C@](O[C@@]1(C(NC([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)[C@](OC(=O)C)(C)[H])[H])(SC)[H])(O)[H])(O)[H])[H]
SPLASH splash10-004i-0910000000-6e4d24e7589275e86814
Source of Spectrum OS-6-470-0
Wiley ID 1387076