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(Q105223292)
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English
(1R,2R,4aR,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
304.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₂
0 references
canonical SMILES
OCC1(C)C(O)CCC2(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]2[C@](C)(CO)[C@H](O)CC[C@@]21C
0 references
found in taxon
Mikania alvimii
1 reference
stated in
Ent-labdanes from Mikania alvimii
Identifiers
InChI
InChI=1S/C20H32O2/c1-6-14(2)7-9-16-15(3)8-10-17-19(16,4)12-11-18(22)20(17,5)13-21/h6-7,16-18,21-22H,1,3,8-13H2,2,4-5H3/b14-7+/t16-,17+,18-,19-,20+/m1/s1
0 references
InChIKey
QKSJAAYFFAZIIF-ACSPXBDCSA-N
0 references
PubChem CID
162881255
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QKSJAAYFFAZIIF-ACSPXBDCSA-N
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