(Q104954630)

English

3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cardanolides

0 references

mass

390.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(3S,5S,8S,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₄O₅

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(O)CCC5(CO)C4CCC23C

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isomeric SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

0 references

found in taxon

Antiaris toxicaria

2 references

stated in

Cytotoxic cardiac glycosides and coumarins from Antiaris toxicaria

stated in

Cardiac glycosides from Antiaris toxicaria with potent cardiotonic activity

Identifiers

InChI

InChI=1S/C23H34O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,15-19,24-25,27H,2-9,11-13H2,1H3/t15-,16+,17-,18+,19-,21-,22-,23+/m1/s1

0 references

InChIKey

CDMVQQAHEQVSMF-NNNAONFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDMVQQAHEQVSMF-NNNAONFXSA-N

1 reference

(Q104954630)

3-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Statements

Identifiers

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