(Q105176470)

English

(3S,5S,8R,9S,10S,13R,14S,16S,17S)-5,14,16-trihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,3a,5a-trihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2H-furan-3-yl)-dodecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

564.293447608 dalton

1 reference

1 reference

C₃₀H₄₄O₁₀

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canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(OC)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)C(O)CC45O

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isomeric SMILES

CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@@H](O)C[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O

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found in taxon

Strophanthus kombe

1 reference

stated in

Cardiac glycosides from Strophanthus kombe

Identifiers

InChI

InChI=1S/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22+,24+,25-,26-,27-,28+,29+,30+/m1/s1

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InChIKey

NAQIOLFTZRJOKV-PHUBZXOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NAQIOLFTZRJOKV-PHUBZXOPSA-N

(Q105176470)

(3S,5S,8R,9S,10S,13R,14S,16S,17S)-5,14,16-trihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

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Identifiers

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