(Q105123036)

English

(E)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-5-[(1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

(13E)-8-Hydroxylabda-13-ene-15-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

O=C(O)C=C(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C

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isomeric SMILES

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

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found in taxon

Oedera fruticosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Relhania fruticosa

1 reference

stated in

Diterpenes and other constituents fromRelhania species

Identifiers

InChI

InChI=1S/C20H34O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19-,20+/m1/s1

0 references

InChIKey

IYXKFHZDYXAAFO-COMZZXEASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYXKFHZDYXAAFO-COMZZXEASA-N

(Q105123036)

(E)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

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