Emblicanin A

CAS Registry Number®

180465-44-5
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CAS Name

Emblicanin A

Molecular Formula

C34H22O22

Molecular Mass

782.53

Cite this Page

Emblicanin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=180465-44-5 (retrieved 2024-05-19) (CAS RN: 180465-44-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2

InChIKey

InChIKey=UEHSSTYZXFBDNL-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(=CC(O)=C(O)C3O)C(=O)OCC4C(OC(=O)C2=CC(O)=C1O)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)=C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(=O)O4

Canonical SMILES

O=C(OC=1C(=O)OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=CC(O)=C(O)C(O)=C6

Other Names for this Substance

  • D-erythro-Hex-2-enonic acid, δ-lactone, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 2,3-bis(3,4,5-trihydroxybenzoate)
  • D-erythro-Hex-2-enonic acid, δ-lactone, cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 2,3-bis(3,4,5-trihydroxybenzoate), (S)-
  • Emblicanin A

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