2-[(1S)-3-(Acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione

CAS Registry Number®

70979-72-5
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CAS Name

2-[(1S)-3-(Acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione

Molecular Formula

C20H18O9

Molecular Mass

402.35

Cite this Page

2-[(1S)-3-(Acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70979-72-5 (retrieved 2024-05-18) (CAS RN: 70979-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1

InChIKey

InChIKey=BWYUKBCRHDFWFF-SECBINFHSA-N

SMILES

O=C1C=2C(C(=O)C=3C1=C(O)C=C(O)C3)=CC(O)=C([C@H](CCOC(C)=O)CO)C2O

Canonical SMILES

O=C1C=2C=C(O)C=C(O)C2C(=O)C3=C(O)C(=C(O)C=C13)C(CO)CCOC(=O)C

Other Names for this Substance

  • 9,10-Anthracenedione, 2-[(1S)-3-(acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-
  • 9,10-Anthracenedione, 2-[3-(acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-, (S)-
  • 2-[(1S)-3-(Acetyloxy)-1-(hydroxymethyl)propyl]-1,3,6,8-tetrahydroxy-9,10-anthracenedione
  • Versiconol acetate

CAS INSIGHTSTM
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