Amarogentin

CAS Registry Number®

21018-84-8

CAS Name

Amarogentin

Molecular Formula

C29H30O13

Molecular Mass

586.54

Cite this Page

Amarogentin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21018-84-8 (retrieved 2024-11-21) (CAS RN: 21018-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1

InChIKey

InChIKey=DBOVHQOUSDWAPQ-WTONXPSSSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](C=C)[C@]3(C(=CO2)C(=O)OCC3)[H])O[C@H](CO)[C@@H](O)[C@@H]1O)(=O)C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5

Canonical SMILES

O=C1OCCC2C1=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-6-[[2-O-[(3,3′,5-trihydroxy[1,1′-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-, (4aS,5R,6S)-
  • Amarogentin
  • [1,1′-Biphenyl]-2-carboxylic acid, 3,3′,5-trihydroxy-, 2-ester with 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one, [4aS-(4aα,5β,6α)]-
  • 1H,3H-Pyrano[3,4-c]pyran, [1,1′-biphenyl]-2-carboxylic acid deriv.
  • (4aS,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-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

1397-87-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration