Gemin A

CAS Registry Number®

82220-61-9

CAS Name

Gemin A

Molecular Formula

C82H56O52

Molecular Mass

1873.29

Cite this Page

Gemin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82220-61-9 (retrieved 2024-12-22) (CAS RN: 82220-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-31(88)50(98)57(105)41(19)43-21(76(117)127-65)9-33(90)52(100)59(43)107)125-81(69(67)131-72(113)17-3-28(85)48(96)29(86)4-17)133-73(114)18-5-30(87)49(97)38(6-18)124-64-25(13-37(94)56(104)63(64)111)80(121)134-82-70-68(130-78(119)23-11-35(92)54(102)61(109)45(23)46-24(79(120)132-70)12-36(93)55(103)62(46)110)66-40(126-82)15-123-75(116)20-8-32(89)51(99)58(106)42(20)44-22(77(118)128-66)10-34(91)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2

InChIKey

InChIKey=ODXMIHPUPFEYDB-UHFFFAOYSA-N

SMILES

O(C(=O)C1=C(OC2=CC(C(OC3C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C6C(O3)COC(=O)C=7C(C=8C(C(=O)O6)=CC(O)=C(O)C8O)=C(O)C(O)=C(O)C7)=O)=CC(O)=C2O)C(O)=C(O)C(O)=C1)C9C%10C(C%11C(O9)COC(=O)C=%12C(C=%13C(C(=O)O%11)=CC(O)=C(O)C%13O)=C(O)C(O)=C(O)C%12)OC(=O)C=%14C(C=%15C(C(=O)O%10)=CC(O)=C(O)C%15O)=C(O)C(O)=C(O)C%14

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC5OC6COC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C=C8C(=O)OC6C9OC(=O)C%10=CC(O)=C(O)C(O)=C%10C%11=C(O)C(O)=C(O)C=C%11C(=O)OC59)=C3)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)C2OC(=O)C%14=CC(O)=C(O)C(O)=C%14C%15=C(O)C(O)=C(O)C=C1%15

Other Names for this Substance

  • α-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate]
  • α-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate], stereoisomer
  • Dibenzo[g,i]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5]dioxacycloundecin, α-D-glucopyranose deriv.
  • Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, α-D-glucopyranose deriv.
  • Gemin A

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.