(Q104982065)

English

(Z)-5-[(1R,2S,3R,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[3-(acetyloxy)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

362.245709568 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-5-[(1R,2S,3S,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₄

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canonical SMILES

O=C(O)C=C(C)CCC1(C)C(C)C(OC(=O)C)CC2(C(=CCCC21)C)C

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isomeric SMILES

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

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found in taxon

Solidago canadensis

1 reference

stated in

Polyacetylenes and diterpenes from Solidago canadensis

Identifiers

InChI

InChI=1S/C22H34O4/c1-14(12-20(24)25)10-11-21(5)16(3)18(26-17(4)23)13-22(6)15(2)8-7-9-19(21)22/h8,12,16,18-19H,7,9-11,13H2,1-6H3,(H,24,25)/b14-12-/t16-,18-,19-,21+,22+/m1/s1

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InChIKey

DJEUHRRTZPCWNH-QTQSCJJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DJEUHRRTZPCWNH-QTQSCJJISA-N

(Q104982065)

(Z)-5-[(1R,2S,3R,4aR,8aR)-3-acetyloxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

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Identifiers

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