(Q105281016)

English

[(2S,3R,4R,5R,6S)-6-{[(1S,3aR,3bS,5aS,7S,9aR,9bR,11aS)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-trihydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

682.33531242 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6'-O-(4-Hydroxy-trans-cinnamoyl)desglucouzarin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₀O₁₁

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canonical SMILES

O=C(OCC1OC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C6=CC(=O)OC6)CCC45O)C2)C(O)C(O)C1O)C=CC7=CC=C(O)C=C7

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isomeric SMILES

C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@H]5O[C@@H](COC(=O)/C=C/c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]43C)[C@]1(O)CC[C@H]2C1=CC(=O)OC1

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/C38H50O11/c1-36-14-11-25(48-35-34(44)33(43)32(42)29(49-35)20-47-30(40)10-5-21-3-7-24(39)8-4-21)18-23(36)6-9-28-27(36)12-15-37(2)26(13-16-38(28,37)45)22-17-31(41)46-19-22/h3-5,7-8,10,17,23,25-29,32-35,39,42-45H,6,9,11-16,18-20H2,1-2H3/b10-5+/t23-,25-,26-,27+,28-,29-,32-,33+,34+,35-,36+,37-,38+/m0/s1

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InChIKey

UXTGZQCKFDJZIH-CDISOSONSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXTGZQCKFDJZIH-CDISOSONSA-N

(Q105281016)

[(2S,3R,4R,5R,6S)-6-{[(1S,3aR,3bS,5aS,7S,9aR,9bR,11aS)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2H-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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