(Q105306044)

English

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,14S,16S)-16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-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 16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.1¹¹,¹⁴.0¹,¹⁰.0⁴,⁹]heptadecane-5-carboxylate

1 reference

1 reference

512.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45CC6CC(OC6(CO)C4O)C35

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isomeric SMILES

C[C@@]1(C(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)[C@H]1O)[C@@H]23

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found in taxon

Adenostemma lavenia

1 reference

stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Adenostemma viscosum

1 reference

stated in

Kaurane-type diterpenes from Adenostemma lavenia O. Kuntze.

Identifiers

InChI

InChI=1S/C26H40O10/c1-23-5-3-6-24(2,22(33)35-20-18(31)17(30)16(29)14(10-27)34-20)15(23)4-7-25-9-12-8-13(19(23)25)36-26(12,11-28)21(25)32/h12-21,27-32H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17+,18-,19+,20-,21+,23-,24-,25-,26-/m1/s1

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InChIKey

WHWKRKUTKZNNOI-GXKQNQNISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WHWKRKUTKZNNOI-GXKQNQNISA-N

(Q105306044)

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,14S,16S)-16-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecane-5-carboxylate

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Identifiers

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