(Q105255420)

English

5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5-(1,2,4a,5-Tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

5alpha,8alpha-(2-Oxokolavenic acid)

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

(5alpha,8alpha,9S,13E)-2-Oxocleroda-3,13-dien-15-oic acid

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C=C(C)CCC1(C)C(C)CCC2(C(=CC(=O)CC21)C)C

0 references

isomeric SMILES

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

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found in taxon

Detarium microcarpum

1 reference

stated in

Bioactive diterpenes from the fruits of Detarium microcarpum

Identifiers

InChI

InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/t14-,17+,19-,20+/m1/s1

0 references

InChIKey

SLMFLTPPPXRYHP-FPWFTKFVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLMFLTPPPXRYHP-FPWFTKFVSA-N

(Q105255420)

5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

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