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(Q120355235)
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English
(25R)-12-oxo-5alpha-spirost-9(11)en-3beta-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
(6R,9S,13S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
1 reference
based on heuristic
inferred from SMILES
mass
428.29265975999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₇H₄₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4=CC(=O)C3(C)C1C2C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O[C@@H]1C[C@]2([H])CC[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6(C(C)[C@@H]5[C@@]4(C)C(=O)C=C3[C@@]2(C)CC1)OC[C@H](C)CC6
0 references
Identifiers
InChI
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15-,16?,17+,18+,19-,21+,22+,24+,25+,26-,27-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
YLZUMNXGXFXZNQ-DSOOVKJGSA-N
1 reference
based on heuristic
inferred from SMILES
LIPID MAPS ID
LMST01080093
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
5 November 2023
InChIKey
YLZUMNXGXFXZNQ-DSOOVKJGSA-N
based on heuristic
InChIKey match
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