(Q105187271)

English

[(1R,2R,4aR,8aR)-1-hydroxy-4,4a-dimethyl-1-propan-2-yl-2,5,6,7,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1-Hydroxy-4,4a-dimethyl-1-propan-2-yl-2,5,6,7,8,8a-hexahydronaphthalen-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₃

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canonical SMILES

O=C(OC1C=C(C)C2(C)CCCCC2C1(O)C(C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C=C(C)[C@]2(C)CCCC[C@H]2[C@]1(O)C(C)C

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found in taxon

Linum salsoloides

1 reference

stated in

Crispane and crispanone, two compounds from Petroselinum crispum with a new carbon @skeleton

parsley

1 reference

stated in

Crispane and crispanone, two compounds from Petroselinum crispum with a new carbon @skeleton

Linum suffruticosum

1 reference

stated in

Crispane and crispanone, two compounds from Petroselinum crispum with a new carbon @skeleton

Identifiers

InChI

InChI=1S/C20H32O3/c1-7-14(4)18(21)23-17-12-15(5)19(6)11-9-8-10-16(19)20(17,22)13(2)3/h7,12-13,16-17,22H,8-11H2,1-6H3/b14-7-/t16-,17-,19+,20-/m1/s1

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InChIKey

NXPBEWQMSGGADR-XPYIYTLYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXPBEWQMSGGADR-XPYIYTLYSA-N

(Q105187271)

[(1R,2R,4aR,8aR)-1-hydroxy-4,4a-dimethyl-1-propan-2-yl-2,5,6,7,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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