Mithramycin

CAS Registry Number®

18378-89-7
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CAS Name

Mithramycin

Molecular Formula

C52H76O24

Molecular Mass

1085.15

Cite this Page

Mithramycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18378-89-7 (retrieved 2024-04-20) (CAS RN: 18378-89-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-183 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1

InChIKey

InChIKey=CFCUWKMKBJTWLW-BKHRDMLASA-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](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](O)[C@@H](C)O8)[C@H](O)[C@@H](C)O7)C6

Canonical SMILES

O=C1C2=C(O)C3=C(O)C(=C(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5)C4)C=C3C=C2CC(C1OC6OC(C)C(O)C(OC7OC(C)C(O)C(OC8OC(C)C(O)C(O)(C)C8)C7)C6)C(OC)C(=O)C(O)C(O)C)C

Other Names for this Substance

  • D-threo-2-Pentulose, 5-deoxy-1-C-[(2S,3S)-7-[[2,6-dideoxy-3-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranosyl]oxy]-3-[(O-2,6-dideoxy-3-C-methyl-β-D-ribo-hexopyranosyl-(1→3)-O-2,6-dideoxy-β-D-lyxo-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]-1-O-methyl-, (1S)-
  • Mithramycin
  • NSC 24559
  • Antibiotic LA 7017
  • Aureolic acid

View All

Deleted or Replaced CAS Registry Numbers

97666-60-9, 1395-17-1, 1403-98-1, 12708-67-7, 12708-66-6, 23973-19-5, 744999-90-4, 807260-73-7, 826336-23-6, 219612-19-8, 899900-19-7, 1195235-16-5

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