(Q104946451)

English

2-[(3R,3aR,5R,8aR)-3-hydroxy-3-methyl-8-methylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3-Hydroxy-3-methyl-8-methylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl)propan-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

280.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(3R,3aR,5S,8aR)-3-hydroxy-3-methyl-8-methylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₈O₃

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Chenopodium botrys

1 reference

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/C17H28O3/c1-11-6-7-13(16(3,4)20-12(2)18)10-15-14(11)8-9-17(15,5)19/h13-15,19H,1,6-10H2,2-5H3/t13-,14+,15-,17-/m1/s1

0 references

InChIKey

BVCFBFNQCMEHNS-JYYAWHABSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVCFBFNQCMEHNS-JYYAWHABSA-N

(Q104946451)

2-[(3R,3aR,5R,8aR)-3-hydroxy-3-methyl-8-methylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]propan-2-yl acetate

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