Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate

CAS Registry Number®

121245-07-6
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CAS Name

Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate

Molecular Formula

C24H22O11

Molecular Mass

486.42

Cite this Page

Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121245-07-6 (retrieved 2024-09-20) (CAS RN: 121245-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1

InChIKey

InChIKey=QSPIPUXWSNFXCK-AGILITTLSA-N

SMILES

O(C)[C@@]12[C@@](O)(C(=O)C=3C(C1=O)=C(O)C=4C(C3)=CC(OC)=C(C(OC)=O)C4C)[C@H](O)C(OC)=CC2=O

Canonical SMILES

O=C(OC)C1=C(OC)C=C2C=C3C(=O)C4(O)C(O)C(OC)=CC(=O)C4(OC)C(=O)C3=C(O)C2=C1C

Other Names for this Substance

  • 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR,7S,10aR)-
  • 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, [6aR-(6aα,7α,10aα)]-
  • Methyl (6aR,7S,10aR)-6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-2-naphthacenecarboxylate
  • Tetracenomycin X