(Q104917636)

English

4-oxo-4-[[(1R,4S,5S,9S,10R,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methoxy]butanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-Oxo-4-[(5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methoxy]butanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

388.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-oxo-4-[[(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methoxy]butanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₆O₄

0 references

canonical SMILES

O=C(O)CCC(=O)OCC1(C)CCCC2(C)C3CCC4(C=CC3(CCC12)C4)C

0 references

isomeric SMILES

C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@H]3CC1)C2

0 references

found in taxon

Rhodanthe floribunda

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Identifiers

InChI

InChI=1S/C24H36O4/c1-21-11-7-18-23(3)10-4-9-22(2,16-28-20(27)6-5-19(25)26)17(23)8-12-24(18,15-21)14-13-21/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,25,26)/t17-,18-,21-,22-,23-,24+/m1/s1

0 references

InChIKey

ARXNJMYASVTMEU-HSEQCXDYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ARXNJMYASVTMEU-HSEQCXDYSA-N

(Q104917636)

4-oxo-4-[[(1R,4S,5S,9S,10R,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methoxy]butanoic acid

Statements

Identifiers

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