(Q105146566)

English

(1S,4S,5R,9S,10S,13R,14R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4R,5S,9R,10S,13S,14R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₃₀O₃

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C1CCC34CC(C(=O)O)C(CCC32)C4

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isomeric SMILES

C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@H](C(=O)O)C3

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found in taxon

Annona senegalensis

1 reference

stated in

Diterpenes from Annona senegalensis

Identifiers

InChI

InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h12-16H,3-11H2,1-2H3,(H,22,23)/t13-,14-,15-,16-,18+,19-,20+/m1/s1

0 references

InChIKey

KVKFKHMIIMGSRS-MIXPNXBUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVKFKHMIIMGSRS-MIXPNXBUSA-N

(Q105146566)

(1S,4S,5R,9S,10S,13R,14R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid

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Identifiers

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