Emblicanin B
CAS Registry Number®
180465-45-6
No image available.
CAS Name
Emblicanin BMolecular Formula
C34H20O22Molecular Mass
780.51Cite this Page
Emblicanin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=180465-45-6 (retrieved ) (CAS RN: 180465-45-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2
InChIKey
InChIKey=JNSDMRUXOVAXNP-UHFFFAOYSA-N
SMILES
O=C1C2=C(C3C(O1)COC(=O)C=4C(C=5C(C(=O)O3)=CC(O)=C(O)C5O)=C(O)C(O)=C(O)C4)OC(=O)C=6C(C=7C(C(=O)O2)=CC(O)=C(O)C7O)=C(O)C(O)=C(O)C6
Canonical SMILES
O=C1OC=2C(=O)OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C5=C(O)C(O)=C(O)C=C5C(=O)OC3C2OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C=C17
Other Names for this Substance
- D-erythro-Hex-2-enonic acid, δ-lactone, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate]
- D-erythro-Hex-2-enonic acid, δ-lactone, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate), [2(S),4(S)]-
- Emblicanin B
