(Q104995631)

English

(3R)-5-[(1R,4aR,7S,8aS)-2,5,5,8a-tetramethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[2,5,5,8a-Tetramethyl-7-(2-methylbut-2-enoyloxy)-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

404.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₄

0 references

canonical SMILES

O=C(OC1CC(C)(C)C2CC=C(C)C(CCC(C)CC(=O)O)C2(C)C1)C(=CC)C

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isomeric SMILES

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

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found in taxon

Brickellia laciniata

1 reference

stated in

Diterpenes from Fleischmannia hymenophylla and Brickellia laciniata

Identifiers

InChI

InChI=1S/C25H40O4/c1-8-17(3)23(28)29-19-14-24(5,6)21-12-10-18(4)20(25(21,7)15-19)11-9-16(2)13-22(26)27/h8,10,16,19-21H,9,11-15H2,1-7H3,(H,26,27)/b17-8-/t16-,19+,20-,21-,25-/m1/s1

0 references

InChIKey

FIDMJZXGMPOOHA-NCEGOZMSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FIDMJZXGMPOOHA-NCEGOZMSSA-N

(Q104995631)

(3R)-5-[(1R,4aR,7S,8aS)-2,5,5,8a-tetramethyl-7-[(Z)-2-methylbut-2-enoyl]oxy-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

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Identifiers

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