(Q63399688)

English

(-)-dihydrocarveol acetate

chemical compound

(1R,2R,5R)-dihydrocarveol acetate

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Statements

instance of

type of chemical entity

0 references

subclass of

dihydrocarveol acetate

1 reference

based on heuristic

inferred from SMILES

mass

196.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

isodihydrocarveol acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(+)-dihydrocarvyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(-)-neodihydrocarveol acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₂₀O₂

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canonical SMILES

O=C(OC1CC(C(=C)C)CCC1C)C

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CC1CCC(CC1OC(=O)C)C(=C)C

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isomeric SMILES

C[C@@H]1CC[C@H](C[C@H]1OC(=O)C)C(=C)C

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found in taxon

Acorus calamus

1 reference

stated in

Identification of an EcoRI restriction site for a rapid and precise determination of beta-asarone-free Acorus calamus cytotypes

Calamintha nepeta

1 reference

stated in

Calamintha nepeta (L.) Savi and its Main Essential Oil Constituent Pulegone: Biological Activities and Chemistry.

Perilla frutescens

1 reference

stated in

Regional variation in components and antioxidant and antifungal activities of Perilla frutescens essential oils in China

Zingiber officinale

1 reference

stated in

Determination of volatile components in ginger using gas chromatography-mass spectrometry with resolution improved by data processing techniques

Identifiers

InChI

InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12-/m1/s1

0 references

InChIKey

TUSIZTVSUSBSQI-YUSALJHKSA-N

0 references

CAS Registry Number

57287-13-5

reason for deprecated rank

cannot be confirmed by other sources

0 references

1 reference

14 May 2021

https://commonchemistry.cas.org/detail?cas_rn=20777-49-5

InChIKey

TUSIZTVSUSBSQI-YUSALJHKSA-N

0 references

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP007161

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DSSTox substance ID

DTXSID80205899

1 reference

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID60128390

0 references

FL number

09.216

1 reference

09.216

CAS no.: 20777-49-5 (English)

retrieved

17 April 2021

UNII

19YC94Z8Z3

0 references

(Q63399688)

(-)-dihydrocarveol acetate

Statements

Identifiers

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