5-[3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate

CAS Registry Number®

244137-68-6

CAS Name

5-[3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate

Molecular Formula

C29H26O16

Molecular Mass

630.51

Cite this Page

5-[3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=244137-68-6 (retrieved 2024-11-22) (CAS RN: 244137-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3/t9-,20-,24+,25+,29-/m0/s1

InChIKey

InChIKey=UETPEBBTEWIQAH-BZLZHIPMSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C(O)C(O)=C3C)[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5

Canonical SMILES

O=C(OC1=CC(C=2OC=3C=C(O)C=C(O)C3C(=O)C2OC4OC(C)C(O)C(O)C4O)=C(C(O)=C1O)C)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 5-[3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester
  • 5-[3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl 3,4,5-trihydroxybenzoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration