CAS Registry Number®
21794-55-8
CAS Name
(+)-Daunomycinone
Molecular Formula
C21H18O8
Molecular Mass
398.36
Compound Properties
-
Melting Point (1)
213-214 °C
Source(s)
- (1) Rho, Young S.; Synthetic Communications, (2004), 34(19), 3497-3511, CAplus
Other Names and Identifiers
InChI
InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1
InChIKey
InChIKey=YOFDHOWPGULAQF-MQJDWESPSA-N
SMILES
O=C1C=2C(=C(O)C3=C(C2O)[C@@H](O)C[C@@](C(C)=O)(O)C3)C(=O)C=4C1=C(OC)C=CC4
Canonical SMILES
O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)C)CC4O
Other Names for this Substance
- 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-
- Daunomycinone
- 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S–cis)-
- (8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
- Daunorubicin aglycone
- Leukaemomycinone C
- Daunomycin aglicone
- (+)-Daunomycinone
- Daunomycinon
- Daunorubicinone
- NSC 109351
Deleted or Replaced CAS Registry Numbers
1604798-98-2
