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(Q104981411)
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English
[(4aR,5R,8aS)-1-(hydroxymethyl)-4a-methyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[1-(hydroxymethyl)-4a-methyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
1 reference
based on heuristic
inferred from SMILES
mass
304.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4aS,5R,8aS)-1-(hydroxymethyl)-4a-methyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₂
0 references
canonical SMILES
OCC1(CO)CCCC2(C)C(C(=C)CCC12)CC=C(C=C)C
0 references
isomeric SMILES
C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2C(CO)(CO)CCC[C@@]21C
0 references
found in taxon
Mikania alvimii
1 reference
stated in
Ent-labdanes from Mikania alvimii
Identifiers
InChI
InChI=1S/C20H32O2/c1-5-15(2)7-9-17-16(3)8-10-18-19(17,4)11-6-12-20(18,13-21)14-22/h5,7,17-18,21-22H,1,3,6,8-14H2,2,4H3/b15-7+/t17-,18+,19-/m1/s1
0 references
InChIKey
DIJDCROCSCAQAD-WWZDVHTDSA-N
0 references
PubChem CID
163030436
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DIJDCROCSCAQAD-WWZDVHTDSA-N
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