Cinnamtannin B2

CAS Registry Number®

88038-12-4

CAS Name

Cinnamtannin B2

Molecular Formula

C60H48O24

Molecular Mass

1153.01

Cite this Page

Cinnamtannin B2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88038-12-4 (retrieved 2024-11-22) (CAS RN: 88038-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1

InChIKey

InChIKey=QRQAODSINXAOBF-UKTWWWBFSA-N

SMILES

O[C@H]1[C@]2(OC=3C([C@@]1(C4=C(O2)C=C(O)C5=C4O[C@@H]([C@H](O)[C@H]5C6=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=C9)[H])=C(O)C=C(O)C3[C@H]%10C=%11C(O[C@@H]([C@@H]%10O)C%12=CC(O)=C(O)C=C%12)=CC(O)=CC%11O)C%13=CC(O)=C(O)C=C%13

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=C4OC6(OC7=CC(O)=C8C(OC(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)=C7C5C6O)C%13=CC=C(O)C(O)=C%13)C1

Other Names for this Substance

  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-10-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, (2R,3R,4S,8R,14R,15R)-
  • 8,14-Methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-10-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-, [2R-[2α,3α,4β(2R*,3R*),8β,10(2R*,3R*,4R*),14β,15R*]]-
  • (2R,3R,4S,8R,14R,15R)-2,8-Bis(3,4-dihydroxyphenyl)-10-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-3,4-dihydro-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
  • Cinnamtannin B2