Neoastilbin

CAS Registry Number®

54081-47-9

CAS Name

Neoastilbin

Molecular Formula

C21H22O11

Molecular Mass

450.39

Cite this Page

Neoastilbin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54081-47-9 (retrieved 2024-11-21) (CAS RN: 54081-47-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20+,21-/m0/s1

InChIKey

InChIKey=ZROGCCBNZBKLEL-MFSALPCASA-N

SMILES

O([C@H]1[C@@H](OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1OC4OC(C)C(O)C(O)C4O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S,3S)-
  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)-
  • (2S,3S)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Neoastilbin
  • Neosmitilbin

View All

Deleted or Replaced CAS Registry Numbers

452962-93-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration