(2R,2′R,2′′R,3S,3′S,3′′S,4S,4′R)-3,3′,3′′,4,4′,4′′-Hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol

CAS Registry Number®

87402-90-2

CAS Name

(2R,2′R,2′′R,3S,3′S,3′′S,4S,4′R)-3,3′,3′′,4,4′,4′′-Hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol

Molecular Formula

C45H38O21

Molecular Mass

914.77

Cite this Page

(2R,2′R,2′′R,3S,3′S,3′′S,4S,4′R)-3,3′,3′′,4,4′,4′′-Hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87402-90-2 (retrieved 2024-11-25) (CAS RN: 87402-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34-,35+,39-,40-,41+,42+,43+/m0/s1

InChIKey

InChIKey=NVTLDVSBUJGIAD-QHBXHTPSSA-N

SMILES

OC1=C2C(=C(C(O)=C1)[C@@H]3C=4C(O[C@@H]([C@H]3O)C5=CC(O)=C(O)C(O)=C5)=CC(O)=CC4O)O[C@@H]([C@@H](O)[C@@H]2C6=C7C(C[C@H](O)[C@H](O7)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C6O)C9=CC(O)=C(O)C(O)=C9

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC(C6=CC(O)=C(O)C(O)=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC(O)=C(O)C(O)=C9)C(O)C8)C1

Other Names for this Substance

  • [4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 3,3′,3′′,4,4′,4′′-hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)-, (2R,2′R,2′′R,3S,3′S,3′′S,4S,4′R)-
  • [4,8′:4′,8′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 3,3′,3′′,4,4′,4′′-hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)-, [2R-[2α,3β,4α[2′R*,3′S*,4′R*(2′′R*,3′′S*)]]]-
  • (2R,2′R,2′′R,3S,3′S,3′′S,4S,4′R)-3,3′,3′′,4,4′,4′′-Hexahydro-2,2′,2′′-tris(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol

CAS INSIGHTSTM
Hourglass and a clock