8,14-Methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(β-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R,8R,14R)-

CAS Registry Number®

176739-79-0

CAS Name

8,14-Methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(β-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R,8R,14R)-

Molecular Formula

C36H32O16

Molecular Mass

720.63

Cite this Page

8,14-Methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(β-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R,8R,14R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=176739-79-0 (retrieved 2025-02-19) (CAS RN: 176739-79-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24-,27-,31-,32+,33-,35-,36-/m1/s1

InChIKey

InChIKey=DQBZPEAEXINSNR-QUCAXYRHSA-N

SMILES

OC1=C2[C@@]3(C=4C5=C(C(O)=CC4O[C@@](C3)(OC2=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C1)C7=CC(O)=C(O)C=C7)C(=O)C[C@@H](O5)C8=CC(O)=C(O)C=C8)[H]

Canonical SMILES

O=C1C2=C(O)C=C3OC4(OC5=CC(OC6OC(CO)C(O)C(O)C6O)=CC(O)=C5C(C3=C2OC(C7=CC=C(O)C(O)=C7)C1)C4)C8=CC=C(O)C(O)=C8

Other Names for this Substance

  • 8,14-Methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(β-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R,8R,14R)-
  • 8,14-Methano-4H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(β-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, [2R-(2α,8β,14α)]-
  • Diinsininol

CAS INSIGHTSTM
Lithium-ion battery