(1R,2S)-2-[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl 3,4,5-trihydroxybenzoate

CAS Registry Number®

121795-66-2

CAS Name

(1R,2S)-2-[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl 3,4,5-trihydroxybenzoate

Molecular Formula

C44H36O22

Molecular Mass

916.75

Cite this Page

(1R,2S)-2-[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl 3,4,5-trihydroxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121795-66-2 (retrieved 2025-03-14) (CAS RN: 121795-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H36O22/c45-18-9-21(46)19(22(47)10-18)11-33(64-43(62)16-5-29(54)39(60)30(55)6-16)35(14-1-25(50)37(58)26(51)2-14)36-24(49)13-23(48)20-12-34(65-44(63)17-7-31(56)40(61)32(57)8-17)41(66-42(20)36)15-3-27(52)38(59)28(53)4-15/h1-10,13,33-35,41,45-61H,11-12H2/t33-,34-,35-,41-/m1/s1

InChIKey

InChIKey=SKYSKYXPHIEIOH-SDRPANPISA-N

SMILES

[C@@H]([C@@H](CC1=C(O)C=C(O)C=C1O)OC(=O)C2=CC(O)=C(O)C(O)=C2)(C3=C4C(C[C@@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](O4)C6=CC(O)=C(O)C(O)=C6)=C(O)C=C3O)C7=CC(O)=C(O)C(O)=C7

Canonical SMILES

O=C(OC1CC2=C(O)C=C(O)C(=C2OC1C3=CC(O)=C(O)C(O)=C3)C(C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)CC=6C(O)=CC(O)=CC6O)C7=CC(O)=C(O)C(O)=C7

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (1R,2S)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 2-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl ester, [2R-[2α,3α,8(1R*,2S*)]]-
  • (1R,2S)-2-[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethyl 3,4,5-trihydroxybenzoate
  • Assamicain A
  • (-)-Assamicain A

CAS INSIGHTSTM
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