Kolaflavanone

CAS Registry Number®

68705-66-8

CAS Name

Kolaflavanone

Molecular Formula

C31H24O12

Molecular Mass

588.52

Cite this Page

Kolaflavanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68705-66-8 (retrieved 2024-11-26) (CAS RN: 68705-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1

InChIKey

InChIKey=GJWXCPDVDRIBKP-CNTBMXMRSA-N

SMILES

O=C1[C@@H]([C@H](OC=2C1=C(O)C=C(O)C2)C3=CC=C(O)C=C3)C4=C5C(C(=O)[C@H](O)[C@H](O5)C6=CC(O)=C(OC)C=C6)=C(O)C=C4O

Canonical SMILES

O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(OC)C(O)=C3)C1O)C4C(=O)C=5C(O)=CC(O)=CC5OC4C6=CC=C(O)C=C6

Other Names for this Substance

  • [3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2,2′,3,3′-tetrahydro-3′,5,5′,7,7′-pentahydroxy-2′-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, (2S,2′R,3R,3′R)-
  • [3,8′-Bi-4H-1-benzopyran]-4,4′-dione, 2,2′,3,3′-tetrahydro-3′,5,5′,7,7′-pentahydroxy-2′-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, [2S-[2α,3β(2′S*,3′S*)]]-
  • (2S,2′R,3R,3′R)-2,2′,3,3′-Tetrahydro-3′,5,5′,7,7′-pentahydroxy-2′-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)[3,8′-bi-4H-1-benzopyran]-4,4′-dione
  • Kolaflavanone
  • Kolaflavonone GB3

Deleted or Replaced CAS Registry Numbers

943600-44-0

CAS INSIGHTSTM
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