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Substance Name: Cinnamtannin B1
RN: 88082-60-4
UNII: H1059K9GIN
InChIKey: BYSRPHRKESMCPO-LQNPQWRQSA-N

Molecular Formula

  • C45-H36-O18

Molecular Weight

  • 864.7614
 
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Names and Synonyms

Name of Substance

  • Cinnamtannin B1

Synonyms

  • 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)-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,8S,14R,15R)-
  • Cinnamtannin B1
  • Cinnamtannin B1 (constituent of cinnamomum cassia bark) [DSC]
  • Cinnamtannin B1 (constituent of cinnamomum verum bark) [DSC]
  • LDN 0022358
  • LDN-0022358
  • UNII-H1059K9GIN

Registry Numbers

CAS Registry Number

  • 88082-60-4

FDA UNII

  • H1059K9GIN

System Generated Number

  • 0088082604

Structure Descriptors

InChI

1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1

InChIKey

BYSRPHRKESMCPO-LQNPQWRQSA-N

Smiles

c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O