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(Q105341676)
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English
4,4a,6-trihydroxy-2-[2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-1-one
group of stereoisomers with the chemical formula C₂₇H₄₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
9,11-secocholestane steroid
1 reference
inferred from
9,11-secocholestane steroid
mass
450.334524572
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₆O₅
0 references
canonical SMILES
O=C1C(=CC(O)C2(O)CC(O)CCC12C)C3CCC(C(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)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23(30)27(32)16-19(29)11-12-26(27,5)24(20)31/h15,17-19,21-23,28-30,32H,6-14,16H2,1-5H3
0 references
InChIKey
XTNDAJHNHQCFRB-UHFFFAOYSA-N
0 references
PubChem CID
72758284
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XTNDAJHNHQCFRB-UHFFFAOYSA-N
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