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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H48O24
Molecular Weight 1153.0087
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINNAMTANNIN B2

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC=C(O)C(O)=C3)C([C@@H]4[C@@H](O)[C@H](OC5=C6[C@@H]7[C@@H](O)[C@](OC6=CC(O)=C45)(OC8=C([C@@H]9[C@@H](O)[C@H](OC%10=CC(O)=CC(O)=C9%10)C%11=CC=C(O)C(O)=C%11)C(O)=CC(O)=C78)C%12=CC=C(O)C(O)=C%12)C%13=CC=C(O)C(O)=C%13)=C(O)C=C2O

InChI

InChIKey=QRQAODSINXAOBF-UKTWWWBFSA-N
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

HIDE SMILES / InChI

Molecular Formula C60H48O24
Molecular Weight 1153.0087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:36 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:36 GMT 2025
Record UNII
99DGE65202
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINNAMTANNIN B2 (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
Preferred Name English
CINNAMTANNIN B2
Common Name English
CINNAMTANNIN B2 (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Common Name English
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-TR
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401316981
Created by admin on Tue Apr 01 16:23:37 GMT 2025 , Edited by admin on Tue Apr 01 16:23:37 GMT 2025
PRIMARY
PUBCHEM
16130973
Created by admin on Tue Apr 01 16:23:37 GMT 2025 , Edited by admin on Tue Apr 01 16:23:37 GMT 2025
PRIMARY
CAS
88038-12-4
Created by admin on Tue Apr 01 16:23:37 GMT 2025 , Edited by admin on Tue Apr 01 16:23:37 GMT 2025
PRIMARY
FDA UNII
99DGE65202
Created by admin on Tue Apr 01 16:23:37 GMT 2025 , Edited by admin on Tue Apr 01 16:23:37 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT