(Q105014831)

English

(3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6,7,8,8a-tetrahydro-1H-azulen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

234.161979944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₂

0 references

canonical SMILES

O=C1C(=C2C=C(CCC(C)C2C1)C(O)(C)C)C

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isomeric SMILES

CC1=C2C=C(C(C)(C)O)CC[C@H](C)[C@@H]2CC1=O

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found in taxon

Gardenia sootepensis

1 reference

stated in

A sesquiterpene from Gardenia sootepensis

Identifiers

InChI

InChI=1S/C15H22O2/c1-9-5-6-11(15(3,4)17)7-13-10(2)14(16)8-12(9)13/h7,9,12,17H,5-6,8H2,1-4H3/t9-,12-/m0/s1

0 references

InChIKey

GPHOOPDBTHHJLD-CABZTGNLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPHOOPDBTHHJLD-CABZTGNLSA-N

1 reference

(Q105014831)

(3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one

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