(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one

CAS Registry Number®

88903-77-9

CAS Name

(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one

Molecular Formula

C39H32O15

Molecular Mass

740.66

Cite this Page

(2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88903-77-9 (retrieved 2025-02-22) (CAS RN: 88903-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1

InChIKey

InChIKey=NWZBNZUABGSPSN-ZBBQFUFDSA-N

SMILES

OC=1C2=C(C=3[C@H](CC(=O)OC3C1)C4=CC(O)=C(O)C=C4)O[C@@H]([C@H](O)[C@H]2C5=C6C(C[C@H](O)[C@H](O6)C7=CC(O)=C(O)C=C7)=C(O)C=C5O)C8=CC(O)=C(O)C=C8

Canonical SMILES

O=C1OC2=CC(O)=C3C(OC(C4=CC=C(O)C(O)=C4)C(O)C3C=5C(O)=CC(O)=C6C5OC(C7=CC=C(O)C(O)=C7)C(O)C6)=C2C(C8=CC=C(O)C(O)=C8)C1

Other Names for this Substance

  • 2H,8H-Benzo[1,2-b:3,4-b′]dipyran-8-one, 2,10-bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-, (2R,3R,4S,10R)-
  • 2H,8H-Benzo[1,2-b:3,4-b′]dipyran-8-one, 2,10-bis(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-, [2R-[2α,3α,4β(2R*,3S*),10α]]-
  • (2R,3R,4S,10R)-2,10-Bis(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4,9,10-tetrahydro-3,5-dihydroxy-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • Kandelin A 1

CAS INSIGHTSTM
Samples on a microarray, illustration