(Q105347059)

English

[5-(5-Formyl-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate

group of stereoisomers with the chemical formula C₂₂H₃₆O₃

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instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=CC1=CCCC2C1(C)CCC(C)C2(C)CCC(C)CCOC(=O)C

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Identifiers

InChI

InChI=1S/C22H36O3/c1-16(11-14-25-18(3)24)9-12-21(4)17(2)10-13-22(5)19(15-23)7-6-8-20(21)22/h7,15-17,20H,6,8-14H2,1-5H3

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InChIKey

YDVJPRKDQXYPCK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDVJPRKDQXYPCK-UHFFFAOYSA-N

1 reference

(Q105347059)

[5-(5-Formyl-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate

Statements

Identifiers

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