(Q105214910)

English

[(1R,4R,9R,10S,13S,14R)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(14-Hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(14R)-14-hydroxy-5,5,9-trimethyl-6-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

362.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4S,9S,10R,13R,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4S,9S,10R,13S,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4S,9S,10R,13R,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Acetylcalliterpenone

1 reference

based on heuristic

inferred from InChI

[(1S,4S,9S,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₄

0 references

canonical SMILES

O=C(OCC1(O)CC23CCC4C(C(=O)CCC4(C)C3CCC1C2)(C)C)C

0 references

isomeric SMILES

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

0 references

Callicarpa macrophylla

1 reference

16oc,17-isopropylideno-3-oxo-phyllocladane, a diterpenoid from Callicarpa macrophylla

Identifiers

InChI=1S/C22H34O4/c1-14(23)26-13-22(25)12-21-10-7-16-19(2,3)18(24)8-9-20(16,4)17(21)6-5-15(22)11-21/h15-17,25H,5-13H2,1-4H3/t15-,16-,17+,20-,21+,22-/m0/s1

0 references

PTVDSZPMJVQUCE-YHOAHWDJSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

PTVDSZPMJVQUCE-YHOAHWDJSA-N

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