Tubuloside A

CAS Registry Number®

112516-05-9
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CAS Name

Tubuloside A

Molecular Formula

C37H48O21

Molecular Mass

828.76

Cite this Page

Tubuloside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112516-05-9 (retrieved 2024-09-19) (CAS RN: 112516-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H48O21/c1-15-26(45)28(47)31(50)36(53-15)58-33-32(57-25(44)8-5-17-3-6-19(40)21(42)11-17)24(14-52-35-30(49)29(48)27(46)23(13-38)55-35)56-37(34(33)54-16(2)39)51-10-9-18-4-7-20(41)22(43)12-18/h3-8,11-12,15,23-24,26-38,40-43,45-50H,9-10,13-14H2,1-2H3

InChIKey

InChIKey=KZLDMAIXPXOZCX-UHFFFAOYSA-N

SMILES

O(C1C(OC(C=CC2=CC(O)=C(O)C=C2)=O)C(COC3OC(CO)C(O)C(O)C3O)OC(OCCC4=CC(O)=C(O)C=C4)C1OC(C)=O)C5C(O)C(O)C(O)C(C)O5

Canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(OC(=O)C)C1OC3OC(C)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5

Other Names for this Substance

  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→6)]-, 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→6)]-, 2-acetate 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
  • Tubuloside A