α-D-Glucopyranoside, 3,6-O-[[(1α,2α,3β)-5-[[6-O-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-β-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1H-indene-1,2-diyl]dicarbonyl]-β-D-fructofuranosyl

CAS Registry Number®

188834-49-3

CAS Name

α-D-Glucopyranoside, 3,6-O-[[(1α,2α,3β)-5-[[6-O-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-β-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1H-indene-1,2-diyl]dicarbonyl]-β-D-fructofuranosyl

Molecular Formula

C46H51NO24

Molecular Mass

1001.89

Cite this Page

α-D-Glucopyranoside, 3,6-O-[[(1α,2α,3β)-5-[[6-O-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-β-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1H-indene-1,2-diyl]dicarbonyl]-β-D-fructofuranosyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=188834-49-3 (retrieved 2024-11-24) (CAS RN: 188834-49-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-186 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C46H51NO24/c1-63-24-8-16(6-7-22(24)50)30-19-10-25(66-44-38(58)37(57)34(54)27(68-44)13-64-29(52)11-20-17-4-2-3-5-21(17)47-41(20)60)23(51)9-18(19)31-32(30)42(61)65-14-28-35(55)40(69-43(31)62)46(15-49,70-28)71-45-39(59)36(56)33(53)26(12-48)67-45/h2-10,20,26-28,30-40,44-45,48-51,53-59H,11-15H2,1H3,(H,47,60)

InChIKey

InChIKey=YKJNAQAMDVTTGV-UHFFFAOYSA-N

SMILES

O=C1C2C(C=3C(C2C(=O)OC4C(OC5OC(CO)C(O)C(O)C5O)(CO)OC(CO1)C4O)=CC(O)=C(OC6OC(COC(CC7C=8C(NC7=O)=CC=CC8)=O)C(O)C(O)C6O)C3)C9=CC(OC)=C(O)C=C9

Canonical SMILES

O=C(OCC1OC(OC=2C=C3C(=CC2O)C4C(=O)OC5C(O)C(OC5(OC6OC(CO)C(O)C(O)C6O)CO)COC(=O)C4C3C7=CC=C(O)C(OC)=C7)C(O)C(O)C1O)CC8C(=O)NC=9C=CC=CC98

Other Names for this Substance

  • α-D-Glucopyranoside, 3,6-O-[[(1α,2α,3β)-5-[[6-O-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-β-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-1H-indene-1,2-diyl]dicarbonyl]-β-D-fructofuranosyl
  • Secaloside A

CAS INSIGHTSTM
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