(Q105179131)

English

methyl (1S,4R,9R,10R,13R,14R)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

318.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₂

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canonical SMILES

O=C(OC)C1CC23CCC4C(C)(C)CCCC4(C)C3CCC1C2

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isomeric SMILES

COC(=O)[C@@H]1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3

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found in taxon

Baccharis minutiflora

1 reference

stated in

Diterpenes from Baccharis species

Identifiers

InChI

InChI=1S/C21H34O2/c1-19(2)9-5-10-20(3)16(19)8-11-21-12-14(6-7-17(20)21)15(13-21)18(22)23-4/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+,20-,21+/m1/s1

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InChIKey

NGRXLBWGUOYEPJ-RDNOGQQASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGRXLBWGUOYEPJ-RDNOGQQASA-N

(Q105179131)

methyl (1S,4R,9R,10R,13R,14R)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

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Identifiers

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