Prodelphinidin B9

CAS Registry Number®

86631-36-9

CAS Name

Prodelphinidin B9

Molecular Formula

C30H26O14

Molecular Mass

610.52

Cite this Page

Prodelphinidin B9.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86631-36-9 (retrieved 2024-11-23) (CAS RN: 86631-36-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27-,28-,29-/m1/s1

InChIKey

InChIKey=RTEDIEITOBJPNI-WKOHRUSMSA-N

SMILES

O[C@@H]1[C@@H](C=2C(O[C@@H]1C3=CC(O)=C(O)C(O)=C3)=CC(O)=CC2O)C4=C5C(C[C@@H](O)[C@H](O5)C6=CC(O)=C(O)C(O)=C6)=C(O)C=C4O

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC(O)=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC(O)=C(O)C(O)=C6)C(O)C5)C1

Other Names for this Substance

  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 3,3′,4,4′-tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)-, (2R,2′R,3R,3′R,4S)-
  • [4,8′-Bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol, 3,3′,4,4′-tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)-, [2R-[2α,3α,4α(2′R*,3′R*)]]-
  • (2R,2′R,3R,3′R,4S)-3,3′,4,4′-Tetrahydro-2,2′-bis(3,4,5-trihydroxyphenyl)[4,8′-bi-2H-1-benzopyran]-3,3′,5,5′,7,7′-hexol
  • Prodelphinidin B9

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