(Q105029312)

English

[(1S,2S,4R,8R,10S,11R,12R)-8,10-diacetyloxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-12-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(8,10-Diacetyloxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-12-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

440.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₁₀

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canonical SMILES

O=C(OCC1C(=O)OC2C3OC3(C)CCC(=O)C(OC(=O)C)(C)CC(OC(=O)C)C21)C

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isomeric SMILES

CC(=O)OC[C@@H]1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CCC(=O)[C@](C)(OC(C)=O)C[C@H](OC(C)=O)[C@H]21

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found in taxon

Chrysolaena propinqua

1 reference

stated in

Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua

Identifiers

InChI

InChI=1S/C21H28O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h13-14,16-18H,6-9H2,1-5H3/t13-,14-,16+,17-,18-,20+,21+/m0/s1

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InChIKey

HJLKAPIPLBHREM-JEPMJSOJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJLKAPIPLBHREM-JEPMJSOJSA-N

(Q105029312)

[(1S,2S,4R,8R,10S,11R,12R)-8,10-diacetyloxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-12-yl]methyl acetate

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Identifiers

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