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(Q74411096)
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English
(+)-kolavelool
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
0 references
diterpenoid
0 references
mass
290.260965708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₄O
0 references
canonical SMILES
OC(C=C)(C)CCC1(C)C(C)CCC2(C(=CCCC21)C)C
0 references
isomeric SMILES
C=CC(C)(O)CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@H]21
0 references
found in taxon
Jungermannia infusca
1 reference
stated in
Sesqui- and diterpenoids from the japanese liverwort Jungermannia hattoriana
Identifiers
InChI
InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18?,19+,20+/m0/s1
0 references
InChIKey
YBDUXZKWDIUNSG-JPNUPGBZSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
102335043
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YBDUXZKWDIUNSG-JPNUPGBZSA-N
Reaxys registry number
8930624
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
138313
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18?,19+,20+/m0/s1
UniChem compound ID
101247765
1 reference
stated in
UniChem
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