CAS 60976-49-0: Geraniin
Description:Geraniin is a naturally occurring polyphenolic compound primarily found in various plants, particularly in the family of Geraniaceae. It is recognized for its potential health benefits, including antioxidant, anti-inflammatory, and antimicrobial properties. Geraniin is a type of ellagitannin, which means it is derived from the condensation of ellagic acid and glucose. This compound is often studied for its role in traditional medicine and its potential applications in nutraceuticals and pharmaceuticals. Geraniin exhibits solubility in organic solvents and has a relatively complex structure, which contributes to its biological activity. Its chemical properties include the ability to form complexes with metal ions and interact with various biological macromolecules, making it a subject of interest in both medicinal chemistry and natural product research. Additionally, ongoing studies are exploring its effects on various health conditions, including cancer and metabolic disorders, highlighting its significance in the field of natural product chemistry.
Formula:C41H28O27
InChI:InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2
InChI key:InChIKey=JQQBXPCJFAKSPG-UHFFFAOYSA-N
SMILES:O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(=O)C=C(C(=O)OC2C4OC(=O)C8=CC(O)=C(O)C(O)=C8C=9C(O)=C(O)C(O)=CC19)C(C65)C7(O)O
- Synonyms:
- (1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-Undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.0~4,38~.0~7,26~.0~8,29~.0~11,16~.0~17,22~.0~32,37~]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl 3,4,5-trihydroxybenzoate
- (26bR)-2,3,11,12,13,14,15,16,26,26,26a-undecahydroxy-5,9,18,23,25-pentaoxo-5,7a,9,18,20,21,21a,23,25,26,26a,26b-dodecahydro-7H-21,7-(epoxymethano)-1,6,8,19,22-pentaoxadibenzo[5',6':7',8']cyclododeca[1',2':7,8]cycloundeca[1,2,3,4-def]fluoren-28-yl 3,4,5-tr
- (26bR)-2,3,11,12,13,14,15,16,26,26,26a-undecahydroxy-5,9,18,23,25-pentaoxo-5,7a,9,18,20,21,21a,23,25,26,26a,26b-dodecahydro-7H-21,7-(epoxymethano)-1,6,8,19,22-pentaoxadibenzo[5',6':7',8']cyclododeca[1',2':7,8]cycloundeca[1,2,3,4-def]fluoren-28-yl 3,4,5-trihydroxybenzoate
- (3R,4aR)-3,4,4,6,7,15,16,17,18,19,20-undecahydroxy-2,9,13,22,27-pentaoxo-2,3,4,4a,9,11a,13,22,24,25,25a,27-dodecahydro-11H-3,5-epoxy-25,11-(epoxymethano)dibenzo[h,j]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacyclododecin-29-yl 3,4,5-trihydro
- (3R,4aR,11R,11aS,25R,25aR,29R)-3,4,4,6,7,15,16,17,18,19,20-undecahydroxy-2,9,13,22,27-pentaoxo-2,3,4,4a,9,11a,13,22,24,25,25a,27-dodecahydro-11H-3,5-epoxy-25,11-(epoxymethano)dibenzo[h,j]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacyclododeci
- (3R,4aR,11R,11aS,25R,25aR,29S)-3,4,4,6,7,15,16,17,18,19,20-undecahydroxy-2,9,13,22,27-pentaoxo-2,3,4,4a,9,11a,13,22,24,25,25a,27-dodecahydro-11H-3,5-epoxy-25,11-(epoxymethano)dibenzo[h,j]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacyclododeci
- Geraniin
- Geraniin (b form)
- NSC 359346
- benzoic acid, 3,4,5-trihydroxy-, (26bR)-5,7a,9,18,20,21,21a,23,25,26,26a,26b-dodecahydro-2,3,11,12,13,14,15,16,26,26,26a-undecahydroxy-5,9,18,23,25-pentaoxo-21,7-(epoxymethano)-7H-1,6,8,19,22-pentaoxadibenzo[5',6':7',8']cyclododeca[1',2':7,8]cycloundeca[1,2,3,4-def]fluoren-28-yl ester
- See more synonyms
- benzoic acid, 3,4,5-trihydroxy-, (3R,4aR,11R,11aS,25R,25aR,29S)-2,3,4,4a,9,11a,13,22,24,25,25a,27-dodecahydro-3,4,4,6,7,15,16,17,18,19,20-undecahydroxy-2,9,13,22,27-pentaoxo-3,5-epoxy-25,11-(epoxymethano)-11H-dibenzo[h,j]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacyclododecin-29-yl ester
- β-<span class="text-smallcaps">D</span>-Glucopyranose, cyclic 2→7:4→5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer
- β-D-Glucopyranose, cyclic 2→7:4→5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereoisomer
