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(Q104972003)
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English
(1S,3aR,4R,7S,8R,8aR)-7-isopropyl-1,4-dimethyl-octahydroazulene-1,4,8-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1S,3aS,4R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
1 reference
based on heuristic
inferred from SMILES
1,4-Dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
1 reference
based on heuristic
inferred from SMILES
mass
256.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,3aalpha,8abeta)-Decahydro-7beta-isopropyl-1,4-dimethylazulene-1beta,4beta,8beta-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₈O₃
0 references
canonical SMILES
OC1C(CCC(O)(C)C2CCC(O)(C)C12)C(C)C
0 references
isomeric SMILES
CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@](C)(O)[C@H]2[C@@H]1O
0 references
found in taxon
Teucrium leucocladum
1 reference
stated in
Guaiane sesquiterpenes from Teucrium leucocladum
Acorus calamus
1 reference
stated in
Two new sesquiterpenes from Acorus calamus
Lepechinia urbani
1 reference
stated in
Sesquiterpenes from Lepechinia urbaniana
Lepechinia urbanii
1 reference
stated in
Sesquiterpenes from Lepechinia urbaniana
Identifiers
InChI
InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)12(11)13(10)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14+,15-/m0/s1
0 references
InChIKey
CXQOZINRAFPQEX-QFEQQRJNSA-N
0 references
PubChem CID
91884970
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97636180
1 reference
stated in
UniChem
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