(Q104989769)

English

[(E)-5-[(1S,4aR,5S,8aR)-5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[5-(5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₃

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C(C(=C)CCC12)CCC(=CCOC(=O)C)C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(C=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(C)=O

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Cryptomeria japonica

1 reference

Labdanes from Cryptomeria japonica

Identifiers

InChI=1S/C22H34O3/c1-16(11-14-25-18(3)24)7-9-19-17(2)8-10-20-21(4,15-23)12-6-13-22(19,20)5/h11,15,19-20H,2,6-10,12-14H2,1,3-5H3/b16-11+/t19-,20-,21+,22+/m0/s1

0 references

DVASWGUNFKKFPR-LCSZQOBJSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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