(Q105234835)

English

(1R,2S,4S,5R,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,4S,5R,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,4S,5S,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CC(O)C34CC5C(CC23)C5(C)C4

0 references

isomeric SMILES

C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@H]4[C@@H](C[C@@H]21)[C@@]4(C)C3

0 references

found in taxon

Xylopia aethiopica

2 references

stated in

Prolyl endopeptidase and thrombin inhibitory diterpenoids from the bark of Xylopia aethiopica.

stated in

A Trachylobane Diterpenoid from Xylopia aethiopica

Identifiers

InChI

InChI=1S/C20H30O3/c1-17-5-4-6-18(2,16(22)23)13(17)8-15(21)20-9-12-11(7-14(17)20)19(12,3)10-20/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15+,17-,18-,19-,20-/m1/s1

0 references

InChIKey

REFPIPGRFRVTDA-HSJBFBDPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

REFPIPGRFRVTDA-HSJBFBDPSA-N

(Q105234835)

(1R,2S,4S,5R,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

Statements

Identifiers

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