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(Q105242529)
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Villenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[5-(Hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
1 reference
based on heuristic
inferred from SMILES
mass
306.255880328
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(E)-5-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₂
0 references
canonical SMILES
OCC=C(C)CCC1C(=CCC2C(C)(CO)CCCC12C)C
0 references
isomeric SMILES
CC1=CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO
0 references
found in taxon
Leonurus
1 reference
stated in
Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds
Sideritis chamaedryfolia
1 reference
stated in
New labdane diterpenoids from Sideritis chamaedryfolia
Leonotis ocymifolia
1 reference
stated in
Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds
Identifiers
InChI
InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h7,10,17-18,21-22H,5-6,8-9,11-14H2,1-4H3/b15-10+/t17-,18-,19+,20+/m0/s1
0 references
InChIKey
ROXAOLHSWRGMCR-AKZLODSSSA-N
0 references
PubChem CID
21582485
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ROXAOLHSWRGMCR-AKZLODSSSA-N
UniChem compound ID
62296120
1 reference
stated in
UniChem
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