(Q105179849)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Kaur-16-en-18-oic acid

1 reference

based on heuristic

inferred from SMILES

(5R,9S,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

5,9-Dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

302.2245802 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,5alpha,8beta,9alpha,10beta,13beta)-Kaura-16-ene-18-oic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ent-kaur-16-en-19-oic acid

1 reference

based on heuristic

inferred from InChIKey

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

1 reference

based on heuristic

inferred from InChI

(5alpha,8beta,9alpha,10beta,13beta)-Kaur-16-en-18-oic acid

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₂

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(=C)C(CCC32)C4

0 references

isomeric SMILES

C=C1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@H]2CC[C@@H]1C3

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found in taxon

Croton argyrophyllus

1 reference

stated in

New diterpenoids from Croton argyrophylloides

Croton tricolor

1 reference

stated in

New diterpenoids from Croton argyrophylloides

Nassauvia lagascae

1 reference

stated in

5-methylcoumarins from Nassauvia species

Identifiers

InChI

InChI=1S/C20H30O2/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/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16-,18-,19+,20-/m1/s1

0 references

InChIKey

NIKHGUQULKYIGE-HEMOKCEJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIKHGUQULKYIGE-HEMOKCEJSA-N

(Q105179849)

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

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