(Q104968128)

English

[(1R,2R,4R,8R,9R,10S,13S,14S,16R)-16-acetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[16-Acetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

450.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₇

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canonical SMILES

O=C(OC1CCC(C)(C)C2CC(O)C34C(=O)C(COC)C(CCC3C12C)C4OC(=O)C)C

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isomeric SMILES

COC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O

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found in taxon

Croton kongensis

1 reference

stated in

Cytotoxic diterpenoids from Vietnamese medicinal plant Croton tonkinensis GAGNEP.

Identifiers

InChI

InChI=1S/C25H38O7/c1-13(26)31-20-9-10-23(3,4)18-11-19(28)25-17(24(18,20)5)8-7-15(22(25)32-14(2)27)16(12-30-6)21(25)29/h15-20,22,28H,7-12H2,1-6H3/t15-,16+,17-,18+,19+,20+,22+,24-,25-/m0/s1

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InChIKey

CQMCCBFTGIIXMG-ZDIOTCLBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQMCCBFTGIIXMG-ZDIOTCLBSA-N

1 reference

(Q104968128)

[(1R,2R,4R,8R,9R,10S,13S,14S,16R)-16-acetyloxy-2-hydroxy-14-(methoxymethyl)-5,5,9-trimethyl-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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Identifiers

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