(Q105191360)

English

5-[(3R,5S,8R,9S,10R,11S,13R,14S,17R)-3,5,11,14-tetrahydroxy-10,13-dimethyl-12-oxo-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(3,5,11,14-Tetrahydroxy-10,13-dimethyl-12-oxo-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

432.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-[(3S,5S,8R,9S,10R,11S,13R,14S,17R)-3,5,11,14-tetrahydroxy-10,13-dimethyl-12-oxo-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₇

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5(O)CC(O)CCC5(C)C4C(O)C(=O)C23C

0 references

isomeric SMILES

C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O

0 references

found in taxon

Rhabdophis tigrinus

1 reference

stated in

Activities of novel polyhydroxylated cardiotonic steroids purified from nuchal glands of the snake, Rhabdophis tigrinus

Identifiers

InChI

InChI=1S/C24H32O7/c1-21-8-5-14(25)11-23(21,29)9-6-16-18(21)19(27)20(28)22(2)15(7-10-24(16,22)30)13-3-4-17(26)31-12-13/h3-4,12,14-16,18-19,25,27,29-30H,5-11H2,1-2H3/t14-,15-,16-,18-,19+,21-,22+,23+,24+/m1/s1

0 references

InChIKey

OFRQPIDILSGNKE-LFYBAWFVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OFRQPIDILSGNKE-LFYBAWFVSA-N

(Q105191360)

5-[(3R,5S,8R,9S,10R,11S,13R,14S,17R)-3,5,11,14-tetrahydroxy-10,13-dimethyl-12-oxo-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

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