Cinnamtannin III

CAS Registry Number®

88847-05-6

CAS Name

Cinnamtannin III

Molecular Formula

C90H74O36

Molecular Mass

1731.53

Cite this Page

Cinnamtannin III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88847-05-6 (retrieved 2024-11-22) (CAS RN: 88847-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1

InChIKey

InChIKey=UUOWTYGESRVWCF-WKWFDMPLSA-N

SMILES

O[C@@H]1[C@H](C=2C(=C(C(O)=CC2O)[C@H]3C=4C(=C(C(O)=CC4O)[C@H]5C=6C(O[C@@H]([C@@H]5O)C7=CC(O)=C(O)C=C7)=CC(O)=CC6O)O[C@@H]([C@@H]3O)C8=CC(O)=C(O)C=C8)O[C@@H]1C9=CC(O)=C(O)C=C9)C%10=C%11C([C@@H]([C@@H](O)[C@H](O%11)C%12=CC(O)=C(O)C=C%12)C%13=C%14C([C@@H]([C@@H](O)[C@H](O%14)C%15=CC(O)=C(O)C=C%15)C%16=C%17C(C[C@@H](O)[C@H](O%17)C%18=CC(O)=C(O)C=C%18)=C(O)C=C%16O)=C(O)C=C%13O)=C(O)C=C%10O

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)C5C7=C(O)C=C(O)C8=C7OC(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%11C=%13C(O)=CC(O)=C%14C%13OC(C%15=CC=C(O)C(O)=C%15)C(O)C%14C=%16C(O)=CC(O)=C%17C%16OC(C%18=CC=C(O)C(O)=C%18)C(O)C%17)C1

Other Names for this Substance

  • [4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′:4′′′′,8′′′′′-Sexi-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,3′′′′′,5,5′,5′′,5′′′,5′′′′,5′′′′′,7,7′,7′′,7′′′,7′′′′,7′′′′′-octadecol, 2,2′,2′′,2′′′,2′′′′,2′′′′′-hexakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,3′′′′′,4,4′,4′′,4′′′,4′′′′,4′′′′′-dodecahydro-, (2R,2′R,2′′R,2′′′R,2′′′′R,2′′′′′R,3R,3′R,3′′R,3′′′R,3′′′′R,3′′′′′R,4R,4′R,4′′R,4′′′R,4′′′′S)-
  • [4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′:4′′′′,8′′′′′-Sexi-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,3′′′′′,5,5′,5′′,5′′′,5′′′′,5′′′′′,7,7′,7′′,7′′′,7′′′′,7′′′′′-octadecol, 2,2′,2′′,2′′′,2′′′′,2′′′′′-hexakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,3′′′′′,4,4′,4′′,4′′′,4′′′′,4′′′′′-dodecahydro-, stereoisomer
  • (2R,2′R,2′′R,2′′′R,2′′′′R,2′′′′′R,3R,3′R,3′′R,3′′′R,3′′′′R,3′′′′′R,4R,4′R,4′′R,4′′′R,4′′′′S)-2,2′,2′′,2′′′,2′′′′,2′′′′′-Hexakis(3,4-dihydroxyphenyl)-3,3′,3′′,3′′′,3′′′′,3′′′′′,4,4′,4′′,4′′′,4′′′′,4′′′′′-dodecahydro[4,8′:4′,8′′:4′′,8′′′:4′′′,8′′′′:4′′′′,8′′′′′-sexi-2H-1-benzopyran]-3,3′,3′′,3′′′,3′′′′,3′′′′′,5,5′,5′′,5′′′,5′′′′,5′′′′′,7,7′,7′′,7′′′,7′′′′,7′′′′′-octadecol
  • Cinnamtannin III
  • Cinnamtannin A4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration