(Q104939226)

English

(1R,3aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-octahydroazulen-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

238.193280072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3aS,7R,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol

1 reference

based on heuristic

inferred from InChI

(1R,3aR,7S,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₆O₂

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canonical SMILES

OC(C)(C)C1CCC(=C)C2CCC(O)(C)C2C1

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isomeric SMILES

C=C1CC[C@@H](C(C)(C)O)C[C@@H]2[C@H]1CC[C@@]2(C)O

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found in taxon

Chenopodium botrys

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stated in

Chenopodiaceae components: polyoxigenated sesquiterpenes from chenopodium botrys

Dysphania botrys

1 reference

stated in

Chenopodiaceae components: polyoxigenated sesquiterpenes from chenopodium botrys

Identifiers

InChI

InChI=1S/C15H26O2/c1-10-5-6-11(14(2,3)16)9-13-12(10)7-8-15(13,4)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13-,15-/m1/s1

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InChIKey

BOHKTRDVMITGRB-QVHKTLOISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BOHKTRDVMITGRB-QVHKTLOISA-N

(Q104939226)

(1R,3aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol

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Identifiers

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