(Q105244411)

English

(3R,5S,7R,8S,9R,10S,12R,14S,15S,18R,19R,22S,23R)-8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

546.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₁₀

0 references

canonical SMILES

O=CC12C(=CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O)CC6OC7OC(C)C(O)C(O)C7(O)OC6C2

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isomeric SMILES

C[C@H]1O[C@H]2O[C@@H]3CC4=CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@@]2(O)[C@H](O)[C@@H]1O

0 references

found in taxon

Asclepias vestita

1 reference

stated in

Cardenolide glycosides with 5,6-unsaturation from Asclepias vestita

Identifiers

InChI

InChI=1S/C29H38O10/c1-14-23(32)24(33)29(35)25(37-14)38-20-10-16-3-4-19-18(27(16,13-30)11-21(20)39-29)5-7-26(2)17(6-8-28(19,26)34)15-9-22(31)36-12-15/h3,9,13-14,17-21,23-25,32-35H,4-8,10-12H2,1-2H3/t14-,17-,18+,19-,20-,21-,23-,24-,25+,26-,27-,28+,29+/m1/s1

0 references

InChIKey

RRWYTXGLADGRLX-KHQYMMSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RRWYTXGLADGRLX-KHQYMMSKSA-N

(Q105244411)

(3R,5S,7R,8S,9R,10S,12R,14S,15S,18R,19R,22S,23R)-8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde

Statements

Identifiers

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