(Q105221770)

English

(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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(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

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

1 reference

based on heuristic

inferred from SMILES

mass

534.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

2 references

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

Corotoxigenin-3-O-alpha-L-rhamnopyranoside

1 reference

1 reference

C₂₉H₄₂O₉

0 references

canonical SMILES

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

0 references

isomeric SMILES

C[C@H]1O[C@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@@H]1O

0 references

found in taxon

Asclepias curassavica

1 reference

stated in

New cardenolide and acylated lignan glycosides from the aerial parts of Asclepias curassavica

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 /m1/s1

0 references

InChIKey

QITDIWRKOXBKAM-OTYZZOGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QITDIWRKOXBKAM-OTYZZOGJSA-N

(Q105221770)

(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

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