Amaroswerin

CAS Registry Number®

21233-18-1
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CAS Name

Amaroswerin

Molecular Formula

C29H30O14

Molecular Mass

602.54

Cite this Page

Amaroswerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21233-18-1 (retrieved 2024-07-04) (CAS RN: 21233-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1

InChIKey

InChIKey=UZYZCCWBBBCDAD-WCYQFIIKSA-N

SMILES

C(=C)[C@@H]1[C@@]2(O)C(=CO[C@H]1O[C@H]3[C@H](OC(=O)C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)OCC2

Canonical SMILES

O=C1OCCC2(O)C1=COC(OC3OC(CO)C(O)C(O)C3OC(=O)C4=C(O)C=C(O)C=C4C5=CC=CC(O)=C5)C2C=C

Other Names for this Substance

  • 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[[2-O-[(3,3′,5-trihydroxy[1,1′-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-, (4aR,5R,6S)-
  • Amaroswerin
  • [1,1′-Biphenyl]-2-carboxylic acid, 3,3′,5-trihydroxy-, 2′-ester with 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-1H,3H-pyrano[3,4-c]pyran-1-one, [4aR-(4aα,5β,6α)]-
  • 1H,3H-Pyrano[3,4-c]pyran, [1,1′-biphenyl]-2-carboxylic acid deriv.
  • (4aR,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[[2-O-[(3,3′,5-trihydroxy[1,1′-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-1H,3H-pyrano[3,4-c]pyran-1-one

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Deleted or Replaced CAS Registry Numbers

31179-83-6