(Q104399640)

English

Calliterpenone

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

(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 SMILES

mass

320.235144884 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

1 reference

(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

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

(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

ent-3-Oxokaurane-16,17-diol

1 reference

based on heuristic

inferred from InChI

(1R,4S,9S,10R,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

0 references

isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO

0 references

found in taxon

Callicarpa americana

1 reference

stated in

Cytotoxic constituents from the fruiting branches of Callicarpa americana collected in southern Florida

Callicarpa macrophylla

1 reference

stated in

16oc,17-isopropylideno-3-oxo-phyllocladane, a diterpenoid from 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-/m0/s1

0 references

InChIKey

MPDUJZZNNBJFAB-JHSPYMOQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

166992

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

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-/m0/s1

(Q104399640)

Calliterpenone

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