(Q105348838)

English

(4aR,5R,8S,8aS)-8-[(2R)-1-hydroxypropan-2-yl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

chemical compound

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type of chemical entity

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subclass of

(5R,8S,8aS)-8-[(2R)-1-hydroxypropan-2-yl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

252.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄O₃

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canonical SMILES

O=C(O)C1=CC2C(CC1)C(C)CCC2C(C)CO

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isomeric SMILES

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

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Identifiers

InChI

InChI=1S/C15H24O3/c1-9-3-5-13(10(2)8-16)14-7-11(15(17)18)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10+,12-,13-,14+/m1/s1

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InChIKey

YIHMBRXHQJWKMY-ZJMQZLNVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YIHMBRXHQJWKMY-ZJMQZLNVSA-N

(Q105348838)

(4aR,5R,8S,8aS)-8-[(2R)-1-hydroxypropan-2-yl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

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