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Proscillaridin A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill).
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pre_formula( "InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16u,19-,20+,21u,22u,24?,25?,26?,27?,28-,29+,30-/m0/s1", "jqp003/10069.html" ); ?>
Molecular Formula:
C30H42O8
InChI: InChI=1/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16u,19-,20+,21u,22u,24?,25?,26?,27?,28-,29+,30-/m0/s1
InChIKey: InChIKey=MYEJFUXQJGHEQK-GETLCJPQBJ
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
Names:
Caradrine
Caradrin
Cardiovite
Carmazon
Proscillan
Proscillaridine
proscillaridin
Proslladin
Sandoscill
Scillacrist
5-[(3S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
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Registries:
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PubChem CID 10069
PubChem ID 153303
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