(Q105137051)

English

3-[14-hydroxy-10,13-dimethyl-11-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₂₉H₄₂O₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

534.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₉

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6O)CCC5(C)C4C(=O)CC23C

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found in taxon

Trewia nudiflora

1 reference

stated in

Cardenolides and Cardiac Aglycone from the Stem Bark ofTrewia nudiflora

Identifiers

InChI

InChI=1S/C29H42O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-19,22-26,32-35H,4-9,11-13H2,1-3H3

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InChIKey

JYILAZKZKDICSC-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JYILAZKZKDICSC-UHFFFAOYSA-N

(Q105137051)

3-[14-hydroxy-10,13-dimethyl-11-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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