(Q105237502)

English

(1R,4R,5S,9S,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

(1S,4S,5R,9R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

300.208930136 dalton

1 reference

1 reference

1 reference

C₂₀H₂₈O₂

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC4C(=C)CC3(CCC12)C4)C

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isomeric SMILES

C=C1C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)C2=CC[C@H]1C3

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found in taxon

Koanophyllon villosum

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stated in

Deltoidin A and B, two new germacrolides from Eupatorium deltoideum

Identifiers

InChI

InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19-,20-/m0/s1

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InChIKey

RJIPNPHMQGDUBW-DOKOSKEHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RJIPNPHMQGDUBW-DOKOSKEHSA-N

1 reference

(Q105237502)

(1R,4R,5S,9S,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid

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