β-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6′-ester with 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one

CAS Registry Number®

122575-51-3
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CAS Name

β-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6′-ester with 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one

Molecular Formula

C45H50O19

Molecular Mass

894.87

Cite this Page

β-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6′-ester with 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122575-51-3 (retrieved 2024-09-19) (CAS RN: 122575-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H50O19/c1-20(9-5-6-10-21(2)12-8-14-23(4)44(59)64-45-41(57)39(55)35(51)30(18-46)63-45)11-7-13-22(3)43(58)60-19-31-36(52)38(54)40(56)42(62-31)32-27(49)17-29-33(37(32)53)34(50)24-15-25(47)26(48)16-28(24)61-29/h5-17,30-31,35-36,38-42,45-49,51-57H,18-19H2,1-4H3

InChIKey

InChIKey=AVMGZLNYUYKKHI-UHFFFAOYSA-N

SMILES

OC1=C2C(OC=3C(C2=O)=CC(O)=C(O)C3)=CC(O)=C1C4OC(COC(C(=CC=CC(=CC=CC=C(C=CC=C(C(OC5OC(CO)C(O)C(O)C5O)=O)C)C)C)C)=O)C(O)C(O)C4O

Canonical SMILES

O=C(OCC1OC(C2=C(O)C=C3OC4=CC(O)=C(O)C=C4C(=O)C3=C2O)C(O)C(O)C1O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC5OC(CO)C(O)C(O)C5O)C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-[hydrogen (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate], 6′-ester with 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
  • β-D-Glucopyranose, 1-(hydrogen 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate), 6′-ester with 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one, (all-E)-
  • Mangicrocin