Cinnamtannin A2

CAS Registry Number®

86631-38-1
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CAS Name

Cinnamtannin A2

Molecular Formula

C60H50O24

Molecular Mass

1155.02

Cite this Page

Cinnamtannin A2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86631-38-1 (retrieved 2024-09-10) (CAS RN: 86631-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

InChIKey

InChIKey=QFLMUASKTWGRQE-JNIIMKSASA-N

SMILES

O[C@@H]1[C@H](C=2C(=C(C(O)=CC2O)[C@H]3C=4C(O[C@@H]([C@@H]3O)C5=CC(O)=C(O)C=C5)=CC(O)=CC4O)O[C@@H]1C6=CC(O)=C(O)C=C6)C7=C8C([C@@H]([C@@H](O)[C@H](O8)C9=CC(O)=C(O)C=C9)C%10=C%11C(C[C@@H](O)[C@H](O%11)C%12=CC(O)=C(O)C=C%12)=C(O)C=C%10O)=C(O)C=C7O

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=C(O)C(O)=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8C=%10C(O)=CC(O)=C%11C%10OC(C%12=CC=C(O)C(O)=C%12)C(O)C%11)C1

Other Names for this Substance

  • [4,8′:4′,8′′:4′′,8′′′-Quater-2H-1-benzopyran]-3,3′,3′′,3′′′,5,5′,5′′,5′′′,7,7′,7′′,7′′′-dodecol, 2,2′,2′′,2′′′-tetrakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,4,4′,4′′,4′′′-octahydro-, (2R,2′R,2′′R,2′′′R,3R,3′R,3′′R,3′′′R,4R,4′R,4′′S)-
  • [4,8′:4′,8′′:4′′,8′′′-Quater-2H-1-benzopyran]-3,3′,3′′,3′′′,5,5′,5′′,5′′′,7,7′,7′′,7′′′-dodecol, 2,2′,2′′,2′′′-tetrakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,4,4′,4′′,4′′′-octahydro-, stereoisomer
  • (2R,2′R,2′′R,2′′′R,3R,3′R,3′′R,3′′′R,4R,4′R,4′′S)-2,2′,2′′,2′′′-Tetrakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,4,4′,4′′,4′′′-octahydro[4,8′:4′,8′′:4′′,8′′′-quater-2H-1-benzopyran]-3,3′,3′′,3′′′,5,5′,5′′,5′′′,7,7′,7′′,7′′′-dodecol
  • Cinnamtannin I
  • Cinnamtannin A2

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Deleted or Replaced CAS Registry Numbers

158112-57-3