(Q104975502)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,3S,4S,5R,9S,10S,13R,14S)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

530.272712164 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₁₁

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C4CCC5CC4(CC5(O)CO)C(O)C(O)C23

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isomeric SMILES

C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1[C@H](O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3

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found in taxon

Ipomoea nil

1 reference

stated in

Diterpene glycosides from the seeds of Pharbitis nil.

Identifiers

InChI

InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)37-21-17(31)16(30)15(29)13(9-27)36-21)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(35,10-25)11-28/h12-21,27-33,35H,3-11H2,1-2H3/t12-,13-,14+,15-,16+,17-,18+,19+,20+,21+,23+,24-,25-,26-/m1/s1

0 references

InChIKey

DCKNJQNATNEITF-BOOWWGFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCKNJQNATNEITF-BOOWWGFESA-N

1 reference

(Q104975502)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,3S,4S,5R,9S,10S,13R,14S)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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