(Q105326164)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₀O₄

0 references

canonical SMILES

O=C(OC1C(O)CC2(C)C(C(=CCC2C1(C)C)C)CCC(=CCO)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C[C@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C

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found in taxon

Baccharis salicifolia

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Identifiers

InChI

InChI=1S/C25H40O4/c1-8-17(3)23(28)29-22-20(27)15-25(7)19(11-9-16(2)13-14-26)18(4)10-12-21(25)24(22,5)6/h8,10,13,19-22,26-27H,9,11-12,14-15H2,1-7H3/b16-13+,17-8-/t19-,20+,21-,22-,25-/m1/s1

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InChIKey

XDZFMGQNHRGIKY-AFENHQHFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105326164)

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

Statements

Identifiers

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