(Q105124449)

English

[(E)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] (3S)-3-methylpentanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-(6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl] 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

404.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₃

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canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C)(C)C(O)CCC12C)C)CC(C)CC

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isomeric SMILES

CC[C@H](C)CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C

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found in taxon

Corymbium villosum

1 reference

stated in

Macrolide diterpenes and other ent-labdanes from corymbium villosum

Identifiers

InChI

InChI=1S/C26H44O3/c1-8-18(2)17-24(28)29-16-14-19(3)9-11-21-20(4)10-12-22-25(5,6)23(27)13-15-26(21,22)7/h10,14,18,21-23,27H,8-9,11-13,15-17H2,1-7H3/b19-14+/t18-,21+,22+,23-,26-/m0/s1

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InChIKey

JBMWFOFITHEFEY-VMHMEHOXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBMWFOFITHEFEY-VMHMEHOXSA-N

(Q105124449)

[(E)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] (3S)-3-methylpentanoate

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Identifiers

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