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(Q105343185)
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English
sclareol
group of stereoisomers
sclareol (unspecified stereochemistry)
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
308.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₆O₂
0 references
canonical SMILES
OC(C=C)(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C
0 references
found in taxon
Semicassis undulata
1 reference
stated in
Neue diterpene aus Gnaphalium-arten
Nicotiana
1 reference
stated in
Biosynthesis of labdenediol and sclareol in cell-free extracts from trichomes of Nicotiana glutinosa
Salvia sclarea
2 references
stated in
Extracellular localization of the diterpene sclareol in clary sage (Salvia sclarea L., Lamiaceae).
stated in
Discovery and functional characterization of two diterpene synthases for sclareol biosynthesis in Salvia sclarea (L.) and their relevance for perfume manufacture
Jungermannia infusca
1 reference
stated in
seco-Cuparane-type sesquiterpenoid from the Japanese liverwort Jungermannia infusca
jungermannia turcata
1 reference
stated in
Diterpenoids from the japanese liverwort jungermannia INFUSCA fn1 fn1This paper is dedicated, with best wishes, to Professor G. H. Neil Towers on the occasion of his 75th birthday. in honour of professor G. H. Neil Towers 75TH birthday
Identifiers
InChI
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3
0 references
InChIKey
XVULBTBTFGYVRC-UHFFFAOYSA-N
0 references
CAS Registry Number
318237-79-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
521332
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XVULBTBTFGYVRC-UHFFFAOYSA-N
ChEBI ID
189326
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3
SureChEMBL ID
SCHEMBL10525241
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XVULBTBTFGYVRC-UHFFFAOYSA-N
UniChem compound ID
23476862
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20859436
1 reference
matched by identifier from
InChIKey
InChIKey
XVULBTBTFGYVRC-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0036827
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XVULBTBTFGYVRC-UHFFFAOYSA-N
Probes And Drugs ID
PD056371
0 references
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