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Phellinignincisterol B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(5,6-Dihydroxy-5,6-dimethylhept-3-en-2-yl)-8a-hydroxy-5a-methyl-3a,4,5,6,7,8-hexahydrocyclopenta[e][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
364.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Phellinignincisterol B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₅
0 references
canonical SMILES
O=C1OC2C(=C1)C3(O)CCC(C(C=CC(O)(C)C(O)(C)C)C)C3(C)CC2
0 references
isomeric SMILES
C[C@H](/C=C/[C@@](C)(O)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)O[C@H]3CC[C@]12C
0 references
found in taxon
Phellinus igniarius
1 reference
stated in
Homo- and heptanor-sterols and tremulane sesquiterpenes from cultures of Phellinus igniarius
Identifiers
InChI
InChI=1S/C21H32O5/c1-13(6-10-20(5,24)18(2,3)23)14-7-11-21(25)15-12-17(22)26-16(15)8-9-19(14,21)4/h6,10,12-14,16,23-25H,7-9,11H2,1-5H3/b10-6+/t13-,14-,16+,19-,20-,21-/m1/s1
0 references
InChIKey
KJLCZLBABYCKPW-JLZKFPODSA-N
0 references
PubChem CID
46872464
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KJLCZLBABYCKPW-JLZKFPODSA-N
UniChem compound ID
34070788
1 reference
stated in
UniChem
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