(Q105378969)

English

methyl (1S,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 5-(5-methoxy-3-methylpent-3-en-1-yl)-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CCC(=CCOC)C

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isomeric SMILES

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

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found in taxon

Juniperus communis

1 reference

stated in

Diterpene acids from Juniperus communis subsp. Hemisphaerica

Juniperus communis var. communis

1 reference

stated in

Diterpene acids from Juniperus communis subsp. Hemisphaerica

Pinus sibirica

1 reference

stated in

Isocupressic acid and new esters of it from the needles ofPinus sibirica

Identifiers

InChI

InChI=1S/C22H36O3/c1-16(12-15-24-5)8-10-18-17(2)9-11-19-21(18,3)13-7-14-22(19,4)20(23)25-6/h12,18-19H,2,7-11,13-15H2,1,3-6H3/b16-12+/t18-,19+,21+,22-/m0/s1

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InChIKey

ZLLSCHIRYLXIBT-KKIXBDIFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZLLSCHIRYLXIBT-KKIXBDIFSA-N

(Q105378969)

methyl (1S,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

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Identifiers

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