(Q104932670)

English

3-[(1R,3S,5S,7S,10S,11R,13R,14S,15R,18R)-13,18-dihydroxy-10,14-dimethyl-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[13,18-dihydroxy-10,14-dimethyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

550.277797544 dalton

1 reference

1 reference

C₂₉H₄₂O₁₀

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C45OC5CC6CC(OC7OC(C)C(O)C(O)C7O)CCC6(C)C4CC(O)C23C

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isomeric SMILES

C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H]2O[C@]24[C@@H]3C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]24O)[C@H](O)[C@H](O)[C@@H]1O

0 references

found in taxon

Asclepias speciosa

1 reference

stated in

Structure of aspecioside from the monarch butterfly larvae foodplants Asclepias speciosa and A. syriaca

Identifiers

InChI

InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15+,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1

0 references

InChIKey

BEDAFJYDKDOALK-KEMRTWGFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BEDAFJYDKDOALK-KEMRTWGFSA-N

(Q104932670)

3-[(1R,3S,5S,7S,10S,11R,13R,14S,15R,18R)-13,18-dihydroxy-10,14-dimethyl-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one

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Identifiers

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