(Q105228125)

English

(1S,8aalpha)-Decahydro-1,4abeta-dimethyl-6-methylene-5beta-[(E)-3-methyl-5-(3-carboxypropionyloxy)-3-pentenyl]naphthalene-1beta-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₅

0 references

canonical SMILES

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

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found in taxon

Pinus ponderosa

1 reference

stated in

Resin acids of Pinus ponderosa needles

Identifiers

InChI

InChI=1S/C24H36O5/c1-17(12-15-29-22(28)11-10-21(26)27)6-8-19-18(2)7-9-20-23(3,16-25)13-5-14-24(19,20)4/h12,16,19-20H,2,5-11,13-15H2,1,3-4H3,(H,26,27)/b17-12+/t19-,20-,23+,24+/m0/s1

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InChIKey

QUEVERLBIJSVRP-DJXSRFPXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUEVERLBIJSVRP-DJXSRFPXSA-N

1 reference

(Q105228125)

(1S,8aalpha)-Decahydro-1,4abeta-dimethyl-6-methylene-5beta-[(E)-3-methyl-5-(3-carboxypropionyloxy)-3-pentenyl]naphthalene-1beta-carbaldehyde

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