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(2S,3S,4R)-4-[(6-Deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione

CAS Registry Number®

54526-94-2

CAS Name

(2S,3S,4R)-4-[(6-Deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione

Molecular Formula

C29H32O13

Molecular Mass

588.56

Cite this Page

(2S,3S,4R)-4-[(6-Deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54526-94-2 (retrieved 2024-12-27) (CAS RN: 54526-94-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H32O13/c1-10-23(38-4)22(34)25(39-5)28(41-10)42-24-18-14(26(35)29(2,36)27(24)40-6)9-13-17(21(18)33)20(32)16-12(19(13)31)7-11(37-3)8-15(16)30/h7-10,22-25,27-28,30,33-34,36H,1-6H3/t10-,22+,23-,24+,25+,27-,28-,29+/m0/s1

InChIKey

InChIKey=VHJWDTPKSIFZBV-IDORXPLKSA-N

SMILES

O([C@@H]1C2=C(C=C3C(=C2O)C(=O)C=4C(C3=O)=CC(OC)=CC4O)C(=O)[C@@](C)(O)[C@H]1OC)[C@H]5[C@H](OC)[C@H](O)[C@@H](OC)[C@H](C)O5

Canonical SMILES

O=C1C2=CC(OC)=CC(O)=C2C(=O)C=3C(O)=C4C(=CC13)C(=O)C(O)(C)C(OC)C4OC5OC(C)C(OC)C(O)C5OC

Other Names for this Substance

  • 1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-, (2S,3S,4R)-
  • 1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-, [2S-(2α,3α,4β)]-
  • (2S,3S,4R)-4-[(6-Deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-1,6,11(2H)-naphthacenetrione
  • Steffimycin B
  • NSC 204855

Deleted or Replaced CAS Registry Numbers

51899-77-5

CAS INSIGHTSTM
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