(Q105350354)

English

[(E)-5-[(4aR,5S,8aS)-5-(acetyloxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

390.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₄

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canonical SMILES

O=C(OCC=C(C)CCC1=C(C)CCC2C1(C)CCCC2(C)COC(=O)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C

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found in taxon

Araucaria cunninghamii

1 reference

stated in

New diterpenes from Araucaria cunninghami

Identifiers

InChI

InChI=1S/C24H38O4/c1-17(12-15-27-19(3)25)8-10-21-18(2)9-11-22-23(5,16-28-20(4)26)13-7-14-24(21,22)6/h12,22H,7-11,13-16H2,1-6H3/b17-12+/t22-,23+,24+/m0/s1

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InChIKey

YLWNIFZOWQCFOI-ONFJQUQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLWNIFZOWQCFOI-ONFJQUQRSA-N

(Q105350354)

[(E)-5-[(4aR,5S,8aS)-5-(acetyloxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

Statements

Identifiers

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