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Substance Name: Cinnamtannin B1
RN: 88038-12-4
UNII: 99DGE65202
InChIKey: QRQAODSINXAOBF-UKTWWWBFSA-N

Molecular Formula

  • C60-H48-O24

Molecular Weight

  • 1153.02
 
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Names and Synonyms

Results Name

  • Cinnamtannin B1

Name of Substance

  • Cinnamtannin B2

Synonyms

  • Cinnamtannin B1
  • UNII-99DGE65202

Systematic Name

  • 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-(2alpha,3alpha,4beta(2R*,3R*),8beta,10(2R*,3R*,4R*),14beta,15R*))-

Registry Numbers

CAS Registry Number

  • 88038-12-4

FDA UNII

  • 99DGE65202

System Generated Number

  • 0088038124

Structure Descriptors

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

QRQAODSINXAOBF-UKTWWWBFSA-N

Smiles

c12[C@H]3c4c(cc(c(c4O[C@](Oc2cc(O)c2c1O[C@@H]([C@@H](O)[C@H]2c1c2c(C[C@H]([C@H](O2)c2cc(O)c(cc2)O)O)c(cc1O)O)c1cc(O)c(cc1)O)([C@@H]3O)c1cc(O)c(cc1)O)[C@H]1c2c(cc(cc2O)O)O[C@@H]([C@@H]1O)c1cc(O)c(cc1)O)O)O