(Q105160693)

English

Pregn-5-ene-11,15,20-trione, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-17-hydroxy-, (3beta)-

group of stereoisomers with the chemical formula C₂₈H₄₀O₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

520.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₉

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canonical SMILES

O=C1CC(O)(C(=O)C)C2(C)CC(=O)C3C(CC=C4CC(OC5OC(C)C(O)C(OC)C5O)CCC43C)C12

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found in taxon

Digitalis canariensis

1 reference

stated in

Die Glykoside der Blätter von Digitalis canariensis L., var. isabelliana (WEBB) LINDINGER

Canary Island Foxglove

1 reference

stated in

Die Glykoside der Blätter von Digitalis canariensis L., var. isabelliana (WEBB) LINDINGER

Identifiers

InChI

InChI=1S/C28H40O9/c1-13-22(32)24(35-5)23(33)25(36-13)37-16-8-9-26(3)15(10-16)6-7-17-20(26)18(30)11-27(4)21(17)19(31)12-28(27,34)14(2)29/h6,13,16-17,20-25,32-34H,7-12H2,1-5H3

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InChIKey

MBDYRJBBFJLZNT-UHFFFAOYSA-N

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CAS Registry Number

520-80-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MBDYRJBBFJLZNT-UHFFFAOYSA-N

DSSTox substance ID

DTXSID901118439

1 reference

matched by identifier from

InChIKey

MBDYRJBBFJLZNT-UHFFFAOYSA-N

(Q105160693)

Pregn-5-ene-11,15,20-trione, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-17-hydroxy-, (3beta)-

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