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(Q105309574)
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English
11,15-Dioxo-12,20-epoxypregn-5-en-3-yl 2,6-dideoxy-3-o-methylhexopyranoside
group of stereoisomers with the chemical formula C₂₈H₄₀O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
488.27740362
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₀O₇
0 references
canonical SMILES
O=C1CC2C(OC3C(=O)C4C(CC=C5CC(OC6OC(C)C(O)C(OC)C6)CCC54C)C1C32C)C
0 references
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/C28H40O7/c1-13-18-11-19(29)22-17-7-6-15-10-16(35-21-12-20(32-5)24(30)14(2)33-21)8-9-27(15,3)23(17)25(31)26(34-13)28(18,22)4/h6,13-14,16-18,20-24,26,30H,7-12H2,1-5H3
0 references
InChIKey
WOLJVUSLKTUJMB-UHFFFAOYSA-N
0 references
CAS Registry Number
467-53-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
164605
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WOLJVUSLKTUJMB-UHFFFAOYSA-N
UniChem compound ID
52068020
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40963640
1 reference
matched by identifier from
InChIKey
InChIKey
WOLJVUSLKTUJMB-UHFFFAOYSA-N
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