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(Q105214106)
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English
Rubescensin J
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(Hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5aR,6S,7R,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5aR,6R,7S,9aR,9bR,11aR)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
OCC1(C)C(O)CCC2(C)C3C(=CCC12)C4OCC(=C)C4CC3
0 references
isomeric SMILES
C=C1CO[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@@H](O)[C@]4(C)CO)[C@@H]3CC[C@@H]12
0 references
found in taxon
Isodon parvifolius
1 reference
stated in
Ent-abietane and ent-labdane diterpenoids from Isodon parvifolius
Isodon rubescens
2 references
stated in
Newent-Abietanoids fromIsodon rubescens
stated in
ent-Abietane diterpenoids from Isodon rubescens var. rubescens.
Identifiers
InChI
InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13-,15+,16-,17+,18+,19-,20+/m0/s1
0 references
InChIKey
PSCMUJSYIGILPT-UFANPLCHSA-N
0 references
PubChem CID
12114716
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
100988551
1 reference
stated in
UniChem
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