(Q105169427)

English

(1R,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

(14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-6-one

1 reference

1 reference

320.235144884 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

ent-3-Oxokaurane-16,17-diol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4S,9S,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

1 reference

1 reference

(1R,4R,9R,10S,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

1 reference

based on heuristic

inferred from InChI

(1R,4R,9R,10S,13S,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

1 reference

based on heuristic

inferred from InChI

(1S,4S,9S,10S,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC34CC(CCC32)C(O)(CO)C4)C1(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3

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found in taxon

Callicarpa macrophylla

1 reference

stated in

Bioactive Diterpenoids from the Leaves of Callicarpa macrophylla

Identifiers

InChI

InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20-/m1/s1

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InChIKey

MPDUJZZNNBJFAB-ALCQSMKISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MPDUJZZNNBJFAB-ALCQSMKISA-N

1 reference

(Q105169427)

(1R,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

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