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(Q110171251)
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English
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecane-1,9-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Caryolane-1,9beta-diol
1 reference
based on heuristic
inferred from SMILES
caryolane-1,9β-diol
1 reference
based on heuristic
inferred from SMILES
SFJOMLIUSIKKRA-BHIAEJGUSA-N
1 reference
based on heuristic
inferred from SMILES
mass
238.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2R,5R,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R,5R,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2R,5R,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S,5R,8S,9R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3,6-Caryolanediol
1 reference
based on heuristic
inferred from InChI
Caryolane 1,9beta-diol
1 reference
based on heuristic
inferred from InChI
Senecrassidiol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₂
0 references
canonical SMILES
OC1CCC2(O)CC1(C)CCC3C2CC3(C)C
0 references
isomeric SMILES
CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)C[C@@]2(O)CC[C@H]1O
0 references
found in taxon
Streptomyces
1 reference
stated in
Micaryolane A and B, Two New Caryolane-Type Sesquiterpenoids from Marine Streptomyces sp. AH25
Identifiers
InChI
InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
0 references
InChIKey
SFJOMLIUSIKKRA-PRSHDEELSA-N
0 references
PubChem CID
154827922
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFJOMLIUSIKKRA-PRSHDEELSA-N
ChEBI ID
211581
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
UniChem compound ID
186518351
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA031217
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFJOMLIUSIKKRA-PRSHDEELSA-N
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