(1S)-1-C-[(2S,3S)-7-[[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl(1→3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-D-threo-2-pentulose

CAS Registry Number®

6992-70-7
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CAS Name

(1S)-1-C-[(2S,3S)-7-[[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl(1→3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-D-threo-2-pentulose

Molecular Formula

C59H86O26

Molecular Mass

1211.30

Cite this Page

(1S)-1-C-[(2S,3S)-7-[[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl(1→3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-D-threo-2-pentulose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6992-70-7 (retrieved 2024-05-18) (CAS RN: 6992-70-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1

InChIKey

InChIKey=WPLCTUHONLQGIX-TWTCTLMISA-N

SMILES

O=C1C=2C(C[C@@]([C@@H](C([C@H]([C@@H](C)O)O)=O)OC)([C@@H]1O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@](C)(O)[C@@H](OC(C(C)C)=O)[C@H](C)O5)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[H])=CC=6C(C2O)=C(O)C(C)=C(O[C@H]7C[C@@H](O[C@@H]8C[C@@H](O)[C@@H](OC)[C@@H](C)O8)[C@@H](OC(C)=O)[C@@H](C)O7)C6

Canonical SMILES

O=C(OC1C(OC(OC=2C=C3C=C4C(C(=O)C(OC5OC(C)C(O)C(OC6OC(C)C(O)C(OC7OC(C)C(OC(=O)C(C)C)C(O)(C)C7)C6)C5)C(C4)C(OC)C(=O)C(O)C(O)C)=C(O)C3=C(O)C2C)CC1OC8OC(C)C(OC)C(O)C8)C)C

Other Names for this Substance

  • D-threo-2-Pentulose, 1-C-[(2S,3S)-7-[[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl(1→3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-, (1S)-
  • Olivomycin D, 3D-O-[2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl]-7-methyl-
  • Chromomycinone, 6-[2,6-dideoxy-4-O-(2,6-dideoxy-4-O-methyl-D-lyxo-hexopyranosyl)-D-lyxo-hexopyranoside] 2-(O-2,6-dideoxy-3-C-methyl-L-arabino-hexopyranosyl-(1→3)-O-2,6-dideoxy-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-D-arabino-hexopyranoside), monoacetate monoisobutyrate
  • Chromomycinone, 6-(4-O-α-olivomosyl-β-olioside) 2-(O-α-olivomycosyl-(1→3)-O-β-olivosyl-(1→3)-β-olivoside), acetate isobutyrate
  • (1S)-1-C-[(2S,3S)-7-[[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-α-L-arabino-hexopyranosyl(1→3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1→3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-D-threo-2-pentulose

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Deleted or Replaced CAS Registry Numbers

11035-98-6, 11035-99-7, 22756-86-1

CAS INSIGHTSTM
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