(Q105382643)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₃

0 references

canonical SMILES

O=C(OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(=CCO)C)C

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isomeric SMILES

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

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Cryptomeria japonica

1 reference

Labdanes from Cryptomeria japonica

Identifiers

InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-17(2)8-10-20-21(4,15-25-18(3)24)12-6-13-22(19,20)5/h11,19-20,23H,2,6-10,12-15H2,1,3-5H3/b16-11+/t19-,20-,21+,22+/m0/s1

0 references

ZSQKSEACUBGYHI-LCSZQOBJSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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