(Q105277651)

English

beta-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate]

group of stereoisomers with the chemical formula C₄₃H₅₄O₂₂

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Statements

instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

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inferred from

secoiridoid monoterpenoid

mass

922.3106733680007 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₅₄O₂₂

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCC3OC(OC45COC(C6=CC=C(O)C(OC)=C6)C5COC4C7=CC=C(O)C(OC)=C7)C(O)C(O)C3O

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Identifiers

InChI

InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3

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InChIKey

URBPIXMUXQEKHZ-UHFFFAOYSA-N

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CAS Registry Number

114449-12-6

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

URBPIXMUXQEKHZ-UHFFFAOYSA-N

DSSTox substance ID

DTXSID801098185

1 reference

matched by identifier from

InChIKey

URBPIXMUXQEKHZ-UHFFFAOYSA-N

(Q105277651)

beta-D-Glucopyranoside, (3R,3aS,6S,6aR)-dihydro-3,6-bis(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl, 6-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate]

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