Prodelphinidin T3

CAS Registry Number®

87421-89-4

CAS Name

Prodelphinidin T3

Molecular Formula

C45H38O19

Molecular Mass

882.77

Cite this Page

Prodelphinidin T3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87421-89-4 (retrieved 2024-11-05) (CAS RN: 87421-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O19/c46-17-9-24(52)32-31(10-17)62-42(15-2-4-20(48)23(51)6-15)39(60)36(32)34-26(54)13-27(55)35-37(40(61)43(64-45(34)35)16-7-28(56)38(59)29(57)8-16)33-25(53)12-21(49)18-11-30(58)41(63-44(18)33)14-1-3-19(47)22(50)5-14/h1-10,12-13,30,36-37,39-43,46-61H,11H2/t30-,36-,37+,39-,40-,41+,42+,43+/m0/s1

InChIKey

InChIKey=IHBGHNWUFNXKJX-FGTUNZIJSA-N

SMILES

OC1=C2C(=C(C(O)=C1)[C@@H]3C=4C(O[C@@H]([C@H]3O)C5=CC(O)=C(O)C=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=C8)=C(O)C=C6O)C9=CC(O)=C(O)C(O)=C9

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=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=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, 2,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2′-(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, 2,2′′-bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2′-(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)-2,2′′-Bis(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2′-(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol
  • Prodelphinidin T3

CAS INSIGHTSTM
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