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DAUNOMYCIN

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

DAUNOMYCIN
SpectraBase Compound ID 8FJKPoiWb7h
InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
InChIKey STQGQHZAVUOBTE-VGBVRHCVSA-N
Mol Weight 527.53 g/mol
Molecular Formula C27H29NO10
Exact Mass 527.179146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0gtWg5WVB1
Name (8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
Alternate Name(s) 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)- 7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione 9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione 9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone 9-Acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione 9-Acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Anthracyline Antibiotics from streptomyces coeruleorubidus Cerubidin Cerubidine Daunoblastin Daunomycin Daunomycin, hydrochloride Daunorubicin Daunorubicin HCl Ondena Rubidomycin Rubidomycin hydrochloride Rubomycin Rubomycin C VS-103 FI 6339 NDC 0082-4155 NSC-83142 RP 13057 RP 13057 hydrochloride
CAS Registry Number 20830-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO10
InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
InChIKey STQGQHZAVUOBTE-VGBVRHCVSA-N
Molecular Weight 527.526 g/mol
SMILES Oc1c2c(C[C@](C[C@@]2(O[C@@]2(O[C@@](C)([C@]([C@](C2)(N)[H])(O)[H])[H])[H])[H])(C(=O)C)O)c(c2c1C(c1c(C2=O)cccc1OC)=O)O
SPLASH splash10-000m-3009000000-0f017bc4f7811d6254a0
Source of Spectrum MX-0-0-38
Wiley ID 1402955