(Q82231306)

English

Regaloside B

group of stereoisomers with the chemical formula C₂₀H₂₆O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

442.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₁₁

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canonical SMILES

O=C(OCC(OC1OC(CO)C(O)C(O)C1O)COC(=O)C)C=CC2=CC=C(O)C=C2

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isomeric SMILES

CC(=O)OC[C@@H](COC(=O)/C=C/c1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O

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found in taxon

Lilium brownii

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stated in

Steroidal saponins from the bulbs of Lilium brownii

Lilium auratum

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stated in

Lipid and steroidal constituents of Lilium auratum var. Platyphyllum AND L. tenuifolium

Identifiers

InChI

InChI=1S/C20H26O11/c1-11(22)28-9-14(30-20-19(27)18(26)17(25)15(8-21)31-20)10-29-16(24)7-4-12-2-5-13(23)6-3-12/h2-7,14-15,17-21,23,25-27H,8-10H2,1H3/b7-4+/t14-,15?,17?,18?,19?,20?/m0/s1

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InChIKey

YQKQOLPNKNHLBO-KRJCNZRASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

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1 reference

inferred from InChIKey

(Q82231306)

Regaloside B

Statements

Identifiers

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