(Q105282622)

English

(1S,4R,5R,9R,10R,13S,15R)-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoxy]-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5,9-Dimethyl-15-(2-methylbut-2-enoxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

386.282095076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(C(=C)C3OCC(=CC)C)CCC24

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isomeric SMILES

C=C1[C@H]2CC[C@H]3[C@](CC[C@H]4[C@](C)(C(=O)O)CCC[C@]34C)(C2)[C@@H]1OC/C(C)=C\C

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found in taxon

Smallanthus maculatus

1 reference

stated in

Chemical constituents and cytotoxic activity of Smallanthus maculatus

Identifiers

InChI

InChI=1S/C25H38O3/c1-6-16(2)15-28-21-17(3)18-8-9-20-23(4)11-7-12-24(5,22(26)27)19(23)10-13-25(20,21)14-18/h6,18-21H,3,7-15H2,1-2,4-5H3,(H,26,27)/b16-6-/t18-,19+,20+,21+,23-,24+,25-/m0/s1

0 references

InChIKey

VACIGXFHCWGMIF-IYXIJRKMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VACIGXFHCWGMIF-IYXIJRKMSA-N

(Q105282622)

(1S,4R,5R,9R,10R,13S,15R)-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoxy]-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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Identifiers

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