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(Q123343312)
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English
(5Z,7E)-(3S,24S)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5S)-24,25-dihydroxycholecalciferol
1 reference
based on heuristic
inferred from SMILES
mass
416.3290452679999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3R,6R)-6-[(1R,3aS,7aR)-4-[2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
secalciferol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCC(O)C(C)(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)CC[C@H](O)C(O)(C)C)/C[C@@H](O)C1
0 references
Identifiers
InChI
InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25+,27-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
FCKJYANJHNLEEP-WQUHCOROSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
5283749
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FCKJYANJHNLEEP-WQUHCOROSA-N
UNII
EVQ6RX7DAN
1 reference
matched by identifier from
InChIKey
InChIKey
FCKJYANJHNLEEP-WQUHCOROSA-N
LIPID MAPS ID
LMST03020274
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