11-O-Galloylbergenin

CAS Registry Number®

82958-44-9

CAS Name

11-O-Galloylbergenin

Molecular Formula

C21H20O13

Molecular Mass

480.38

Cite this Page

11-O-Galloylbergenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82958-44-9 (retrieved 2024-11-13) (CAS RN: 82958-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    269 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3/t11-,14-,16+,18+,19-/m1/s1

InChIKey

InChIKey=CDRRULDABVKKHU-YQBPHPIXSA-N

SMILES

OC1=C2[C@]3([C@](OC(=O)C2=CC(O)=C1OC)([C@@H](O)[C@H](O)[C@@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)O3)[H])[H]

Canonical SMILES

O=C(OCC1OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC2C(O)C1O)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, [(2R,3S,4S,4aR,10bS)-2,3,4,4a,6,10b-hexahydro-3,4,8,10-tetrahydroxy-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl]methyl ester
  • Benzoic acid, 3,4,5-trihydroxy-, (2,3,4,4a,6,10b-hexahydro-3,4,8,10-tetrahydroxy-9-methoxy-6-oxopyrano[3,2-c][2]benzopyran-2-yl)methyl ester, [2R-(2α,3β,4α,4aα,10bβ)]-
  • Pyrano[3,2-c][2]benzopyran, benzoic acid deriv.
  • 11-O-Galloylbergenin

CAS INSIGHTSTM
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