(Q105248979)

English

5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[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

1 reference

692.3407917239999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₅₂O₁₃

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canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CCC5(C)C4CCC23C

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isomeric SMILES

CC1OC(O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

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found in taxon

Drimia indica

1 reference

stated in

Quantitation of Principal Bufadienolides in Different Cytotypes of Urginea indica

Drimia sanguinea

1 reference

stated in

Bufadienolides and other constituents of Urginea sanguinea

Urginea maritima

4 references

stated in

Scilliroside and other scilla compounds in red squill

stated in

Bufadienolides and a new lignan from the bulbs of Urginea maritima

stated in

Tlc-Spectrophotometric Assay of the Main Glycosides of Red Squill, A Specific Rodenticide

stated in

New bufadienolides from Urginea maritima sensu strictu

Drimia maritima

4 references

stated in

Scilliroside and other scilla compounds in red squill

stated in

Bufadienolides and a new lignan from the bulbs of Urginea maritima

stated in

Tlc-Spectrophotometric Assay of the Main Glycosides of Red Squill, A Specific Rodenticide

stated in

New bufadienolides from Urginea maritima sensu strictu

Identifiers

InChI

InChI=1S/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(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/t17?,20-,21+,22-,23+,24?,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,36-/m0/s1

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InChIKey

SANIPSLLLIEJOB-NCQVURFFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SANIPSLLLIEJOB-NCQVURFFSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SANIPSLLLIEJOB-NCQVURFFSA-N

Probes And Drugs ID

PD011274

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(Q105248979)

5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[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

Statements

Identifiers

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