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(Q104945929)
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English
(1S,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
1 reference
based on heuristic
inferred from SMILES
mass
254.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₃
0 references
canonical SMILES
OC1C(=C)CC(O)C2C(O)(CCC2(C)C1)C(C)C
0 references
isomeric SMILES
C=C1C[C@H](O)[C@H]2[C@@](O)(C(C)C)CC[C@]2(C)C[C@@H]1O
0 references
found in taxon
Ferula sinaica
1 reference
stated in
New sesquiterpenes from Ferula sinaica
Identifiers
InChI
InChI=1S/C15H26O3/c1-9(2)15(18)6-5-14(4)8-12(17)10(3)7-11(16)13(14)15/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12-,13+,14+,15-/m0/s1
0 references
InChIKey
BTXJIKSSLQOYHS-AHDPXTMNSA-N
0 references
PubChem CID
162875239
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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