(Q105266044)

English

3-[(3R,5S,9S,10S,12R,14R,15R,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-{10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1-en-19-yl}-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

532.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₉

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5=CC6OC7OCCC(OC)C7(O)OC6CC5(C)C4CC(O)C23C

0 references

isomeric SMILES

CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@@H](C[C@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C)C[C@H]3O[C@@]12O

0 references

found in taxon

Elaeodendron glaucum

1 reference

stated in

Structures of Elaeodendrosides M, N, O P, Q, R and S. A Series of Cardiac Glycosides Isolated from Elaeodendron glaucum

Identifiers

InChI

InChI=1S/C29H40O9/c1-26-13-21-20(37-25-29(33,38-21)23(34-3)7-9-35-25)11-16(26)4-5-18-19(26)12-22(30)27(2)17(6-8-28(18,27)32)15-10-24(31)36-14-15/h10-11,17-23,25,30,32-33H,4-9,12-14H2,1-3H3/t17-,18-,19-,20-,21-,22+,23+,25+,26+,27+,28+,29+/m1/s1

0 references

InChIKey

TWRRVMOZNXTRKY-AWAWQBQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWRRVMOZNXTRKY-AWAWQBQRSA-N

(Q105266044)

3-[(3R,5S,9S,10S,12R,14R,15R,17S,18S,19R,22S,23R)-10,17,22-trihydroxy-9-methoxy-14,18-dimethyl-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1-en-19-yl]-2H-furan-5-one

Statements

Identifiers

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