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Erythromycin B

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Erythromycin B
SpectraBase Compound ID 1KWhzC7fF5C
InChI InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3
InChIKey IDRYSCOQVVUBIJ-UHFFFAOYSA-N
Mol Weight 717.9 g/mol
Molecular Formula C37H67NO12
Exact Mass 717.466327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dWiZzZ0Pj
Name Erythromycin, 12-deoxy-
Alternate Name(s) 12-Deoxyerythromycin 6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione 6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione 6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione 6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione Beritromicina Berythromyci Berythromycin Berythromycine Berythromycinum Erythromycin B Erythromycin b, berythromycin, 12-deoxyerythromycin Oxacyclotetradecane, erythromycin deriv. ABBOT 24091 ABBOTT-24091 BRN 5206722
CAS Registry Number 527-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H67NO12
InChI InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3
InChIKey IDRYSCOQVVUBIJ-UHFFFAOYSA-N
Molecular Weight 717.938 g/mol
SMILES OC1C(CC(OC2C(C(OC(C(C(C(C(C(CC(C(OC3C(C(CC(O3)C)N(C)C)O)C2C)(C)O)C)=O)C)O)C)CC)=O)C)OC1C)(C)OC
SPLASH splash10-0a4i-7900000000-067e100614eea56ae850
Source of Spectrum OS-5-475-0
Wiley ID 1415550