(Q105168449)

English

2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

chemical compound

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type of chemical entity

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subclass of

2-(6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C(O)C(=C)C1C=C2C(C)C(O)C(O)CC2(C)CC1

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isomeric SMILES

C=C(C(=O)O)[C@H]1C=C2[C@@H](C)[C@@H](O)[C@H](O)C[C@]2(C)CC1

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found in taxon

Laggera crispata

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stated in

Eudesmane sesquiterpenes from Laggera pterodonta

Laggera pterodonta

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stated in

Eudesmane sesquiterpenes from Laggera pterodonta

Identifiers

InChI

InChI=1S/C15H22O4/c1-8(14(18)19)10-4-5-15(3)7-12(16)13(17)9(2)11(15)6-10/h6,9-10,12-13,16-17H,1,4-5,7H2,2-3H3,(H,18,19)/t9-,10-,12-,13-,15+/m1/s1

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InChIKey

MNLUMTSGGLOUCH-WHLPLNIVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNLUMTSGGLOUCH-WHLPLNIVSA-N

1 reference

(Q105168449)

2-[(2R,4aS,6R,7R,8R)-6,7-dihydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

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