(Q105271145)

English

(1R,4R,6R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,12,12-Trimethyl-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-9-one

1 reference

based on heuristic

inferred from SMILES

(1R,4R,6R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one

1 reference

based on heuristic

inferred from SMILES

(1S,4R,10R)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one

1 reference

based on heuristic

inferred from SMILES

mass

222.161979944 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₂O₂

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canonical SMILES

O=C1CCC2OC2(C)CCC3C1CC3(C)C

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isomeric SMILES

CC1(C)C[C@@H]2C(=O)CC[C@H]3O[C@]3(C)CC[C@H]21

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found in taxon

Aristolochia pubescens

1 reference

stated in

2,3-Dihydrobenzofuran neolignans from Aristolochia pubescens

Baccharis gaudichaudiana

2 references

stated in

Gaudichanolides A and B, clerodane diterpenes from Baccharis gaudichaudiana

stated in

Gaudichanolides A and B, clerodane diterpenes from Baccharis gaudichaudiana

Neolitsea hiiranensis

1 reference

stated in

Secondary metabolites from the leaves of Neolitsea hiiranensis and the anti-inflammatory activity of some of them

Sindora sumatrana

2 references

stated in

Constituents of Sindora sumatrana MIQ. II. Five New Sesquiterpenoids from the Dried Pods.

stated in

Constituents of Sindora sumatrana MIQ. I. Isolation and NMR Spectral Analysis of Sesquiterpenes from the Dried Pods.

Identifiers

InChI

InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+/m0/s1

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InChIKey

UETZJEZFLKASPR-UZWIWUQPSA-N

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CAS Registry Number

24173-71-5

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

UETZJEZFLKASPR-UZWIWUQPSA-N

Probes And Drugs ID

PD002042

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(Q105271145)

(1R,4R,6R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one

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