(Q104388056)

English

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[(6-Deoxyhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide

1 reference

based on heuristic

inferred from SMILES

(1R,3aS,5aR,7S,9aR,11aR)-3a-hydroxy-11a-methyl-1-(5-oxo-2H-furan-3-yl)-7-{[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(3S,5S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

534.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Corotoxigenin-3-O-alpha-L-rhamnopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,8S,9R,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

1 reference

based on heuristic

inferred from InChI

(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

1 reference

1 reference

1 reference

C₂₉H₄₂O₉

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canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3O)CC2CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O

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isomeric SMILES

C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Antiaris toxicaria

3 references

stated in

Analysis of some Malaysian dart poisons

stated in

Cardiac glycosides from Antiaris toxicaria with potent cardiotonic activity

stated in

Cytotoxic cardiac glycosides and coumarins from Antiaris toxicaria

Thevetia peruviana

2 references

stated in

Cardiac glycosides from the leaves of Thevetia neriifolia

stated in

Glycosides of 19-formylthevetiogenin and 5 alpha-thevetiogenin from Thevetia neriifolia

Identifiers

InChI

InChI=1S/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26+,27+,28+,29-/m0/s1

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InChIKey

QITDIWRKOXBKAM-ZJWFJJOWSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QITDIWRKOXBKAM-ZJWFJJOWSA-N

1 reference

(Q104388056)

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Statements

Identifiers

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