Prodelphinidin T1

CAS Registry Number®

79136-97-3

CAS Name

Prodelphinidin T1

Molecular Formula

C45H38O20

Molecular Mass

898.77

Cite this Page

Prodelphinidin T1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79136-97-3 (retrieved 2024-12-25) (CAS RN: 79136-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(14-4-25(54)37(59)26(55)5-14)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)13-1-2-18(47)20(49)3-13/h1-9,11-12,29,35-36,39-43,46-62H,10H2/t29-,35-,36+,39-,40-,41+,42+,43+/m0/s1

InChIKey

InChIKey=RJFFPCHJOFXZQD-YTSXHMEESA-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=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=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′′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′-bis(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′′-(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′-bis(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′′-(3,4-Dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′:4′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol
  • Prodelphinidin T1
  • Prodelphinidin C2

Deleted or Replaced CAS Registry Numbers

117148-70-6, 1040349-28-7

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.