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Molecule record

(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

C27H29NO11

543.52 g/mol

Loading structure

Molecular properties

Formula
C27H29NO11
Molar mass
543.52 g·mol−1
Exact mass
543.1741 Da
14
PubChem CID
31703

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Ether
Ketone
Phenol
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 14-Hydroxydaunomycin
  • 14-Hydroxydaunorubicine
  • 23214-92-8
  • 80168379AG
  • Adriablastin
  • Adriablastine
  • Adriamycin
  • CHEBI:28748
Show all 24 synonyms
  • DTXCID301480
  • DTXSID8021480
  • Doxorubicina
  • Doxorubicine
  • Doxorubicinum
  • Hydroxyl Daunorubicin
  • Hydroxyldaunorubicin
  • KW-125
  • L01DB01
  • NDC 38242-874
  • NSC 123127
  • NSC-759155
  • RefChem:5780
  • doxorrubicina
  • doxorubicin
  • hydroxydaunomycin

Structure identifiers

Canonical SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
Isomeric SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
InChI
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
InChIKey
AOJJSUZBOXZQNB-TZSSRYMLSA-N
PubChem CID
31703

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record