Buddlenoid A

CAS Registry Number®

142750-32-1

CAS Name

Buddlenoid A

Molecular Formula

C30H26O13

Molecular Mass

594.52

Cite this Page

Buddlenoid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142750-32-1 (retrieved 2024-11-23) (CAS RN: 142750-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+/t21-,24-,26+,28-,30-/m1/s1

InChIKey

InChIKey=GVLNXQDHAFPPFW-HESOAOHTSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](COC(/C=C/C5=CC=C(O)C=C5)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′-ester with 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, (E)-
  • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-
  • 3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
  • Buddlenoid A

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