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(Q110197162)
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English
4,6-Dihydroxy-2-[2-(2-hydroxyethyl)-3-(2-hydroxy-6-methylheptan-2-yl)-2-methylcyclopentyl]-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one
group of stereoisomers with the chemical formula C₂₇H₄₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
450.334524572
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₆O₅
0 references
canonical SMILES
O=C1C(=CC(O)C2CC(O)CCC12C)C3CCC(C(O)(C)CCCC(C)C)C3(C)CCO
0 references
found in taxon
Subergorgia suberosa
1 reference
stated in
Complete 1H and 13C NMR assignments of three new polyhydroxylated sterols from the South China Sea gorgonian Subergorgia suberosa
Identifiers
InChI
InChI=1S/C27H46O5/c1-17(2)7-6-11-27(5,32)23-9-8-20(25(23,3)13-14-28)19-16-22(30)21-15-18(29)10-12-26(21,4)24(19)31/h16-18,20-23,28-30,32H,6-15H2,1-5H3
0 references
InChIKey
RTQABXCZUUAVKI-UHFFFAOYSA-N
0 references
PubChem CID
162895373
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTQABXCZUUAVKI-UHFFFAOYSA-N
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