(Q105202192)

English

(1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,19R,22R,23R)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22R)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(1S,3R,5S,7R,9R,10S,12R,14R,18R,19R,22S)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

1 reference

1 reference

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,5S,7R,9S,10S,12R,14R,15R,18R,19R,22S,23R)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,5S,7R,9R,10S,12R,14R,15R,18R,19R,22S,23R)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₀O₉

0 references

canonical SMILES

O=CC12CC3OC4(O)C(OC(C)CC4O)OC3CC2CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O

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isomeric SMILES

C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)C[C@H]3O[C@@H]2O1

0 references

found in taxon

Aria edulis

1 reference

stated in

Cardenolide glycosides from Pergularia tomentosa and their proapoptotic activity in Kaposi's sarcoma cells

Identifiers

InChI

InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28-,29+/m1/s1

0 references

InChIKey

OWPWFVVPBYFKBG-HFXMZFFSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWPWFVVPBYFKBG-HFXMZFFSSA-N

(Q105202192)

(1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,19R,22R,23R)-9,10,22-trihydroxy-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]pentacosane-14-carbaldehyde

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Identifiers

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