(Q105010229)

English

3-[(3S,5R,9S,10R,12R,14S,15R,18S,19S,22R,23R)-10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl]-2H-furan-5-one

chemical compound

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type of chemical entity

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1 reference

3-(10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl)-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

516.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(3R,5S,9R,10S,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₄₀O₈

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5=CC6OC7OCCC(OC)C7(O)OC6CC5(C)C4CCC23C

0 references

isomeric SMILES

CO[C@H]1CCO[C@@H]2O[C@H]3C=C4CC[C@@H]5[C@@H](CC[C@@]6(C)[C@H](C7=CC(=O)OC7)CC[C@@]56O)[C@]4(C)C[C@H]3O[C@]12O

0 references

found in taxon

Elaeodendron glaucum

1 reference

stated in

Elaeodendroside D, E, H, I and J : New Cardiac Steroids from Elaeodendron glaucum

Elaeodendron

1 reference

stated in

Antiproliferative cardenolides of an Elaeodendron sp. from the Madagascar rain forest(1)

Identifiers

InChI

InChI=1S/C29H40O8/c1-26-14-22-21(36-25-29(32,37-22)23(33-3)8-11-34-25)13-17(26)4-5-20-19(26)6-9-27(2)18(7-10-28(20,27)31)16-12-24(30)35-15-16/h12-13,18-23,25,31-32H,4-11,14-15H2,1-3H3/t18-,19+,20+,21-,22+,23-,25+,26+,27-,28+,29+/m0/s1

0 references

InChIKey

GKRZHFATSIESKX-CKFFJASOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKRZHFATSIESKX-CKFFJASOSA-N

(Q105010229)

3-[(3S,5R,9S,10R,12R,14S,15R,18S,19S,22R,23R)-10,22-dihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl]-2H-furan-5-one

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