(Q105254993)

English

(2R)-1,2,3,4,4a,5,6,8abeta-Octahydro-6alpha-hydroxy-4aalpha,8-dimethyl-alpha-methylenenaphthalene-2alpha-acetic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(2R,4aS,6R,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from InChI

2-[(2S,4aS,6R,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=C(O)C(=C)C1CCC2(C)CC(O)C=C(C)C2C1

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isomeric SMILES

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

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found in taxon

Dittrichia graveolens

1 reference

stated in

Ichthyotoxic sesquiterpenes and xanthanolides from Dittrichia graveolens

Identifiers

InChI

InChI=1S/C15H22O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h6,11-13,16H,2,4-5,7-8H2,1,3H3,(H,17,18)/t11-,12-,13+,15+/m1/s1

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InChIKey

SKQMBUGVSOITND-CXTNEJHOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SKQMBUGVSOITND-CXTNEJHOSA-N

1 reference

(Q105254993)

(2R)-1,2,3,4,4a,5,6,8abeta-Octahydro-6alpha-hydroxy-4aalpha,8-dimethyl-alpha-methylenenaphthalene-2alpha-acetic acid

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