(Q105118618)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

448.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₆

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canonical SMILES

O=C(OC)CCC(=O)OCC=C(C)CCC1C(=C)CCC2C(C(=O)OC)(C)CCCC12C

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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(=O)CCC(=O)OC

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found in taxon

Pinus sibirica

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C26H40O6/c1-18(14-17-32-23(28)13-12-22(27)30-5)8-10-20-19(2)9-11-21-25(20,3)15-7-16-26(21,4)24(29)31-6/h14,20-21H,2,7-13,15-17H2,1,3-6H3/b18-14+/t20-,21+,25+,26-/m0/s1

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InChIKey

IQVKGPHVUDYNPT-SBARFVCWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQVKGPHVUDYNPT-SBARFVCWSA-N

(Q105118618)

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

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Identifiers

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