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(Q105187218)
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English
5-[3-[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
group of stereoisomers with the chemical formula C₃₆H₅₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
bufanolide
1 reference
inferred from
bufanolide
mass
692.340791724
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₅₂O₁₃
0 references
canonical SMILES
O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C
0 references
found in taxon
Drimia maritima
2 references
stated in
Die herzaktiven Substanzen der Meerzwiebel. Scillaren A
stated in
Die Doppelbindungen des Scillaridins A. (7. Mitteilung über Herzglucoside)
Urginea maritima
2 references
stated in
Die herzaktiven Substanzen der Meerzwiebel. Scillaren A
stated in
Die Doppelbindungen des Scillaridins A. (7. Mitteilung über Herzglucoside)
Identifiers
InChI
InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3
0 references
InChIKey
NXJOCELNFPGKIV-UHFFFAOYSA-N
0 references
PubChem CID
4482832
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NXJOCELNFPGKIV-UHFFFAOYSA-N
UniChem compound ID
58645180
1 reference
stated in
UniChem
Probes And Drugs ID
PD075043
0 references
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