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(Q104992719)
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English
Isoavarol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
NSC613793
1 reference
based on heuristic
inferred from SMILES
arenarol
1 reference
based on heuristic
inferred from SMILES
mass
314.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Arenarol
1 reference
based on heuristic
inferred from InChI
2-[[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]benzene-1,4-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₂
0 references
canonical SMILES
OC1=CC=C(O)C(=C1)CC2(C)C(C)CCC3(C(=C)CCCC32)C
0 references
isomeric SMILES
C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O
0 references
found in taxon
Dysidea
2 references
stated in
Merosesquiterpenes from two sponges of the genus Dysidea.
stated in
Avarol and isoavarol from a Pacific Ocean sponge Dysidea sp.
Identifiers
InChI
InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
0 references
InChIKey
FBMAHDGTCDISLJ-LWILDLIXSA-N
0 references
PubChem CID
11392873
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32844866
1 reference
stated in
UniChem
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