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(Q105176183)
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English
(22E)-Cholesta-4,22-diene-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9a,11a-dimethyl-1-(6-methylhept-3-en-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
1 reference
based on heuristic
inferred from SMILES
mass
382.323565964
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₂O
0 references
canonical SMILES
O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CCC(C)C)C)C2(C)CC1
0 references
isomeric SMILES
CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0 references
found in taxon
Dendrophyllia cornigera
1 reference
stated in
3-Keto steroids from the marine organisms Dendrophyllia cornigera and Cymodocea nodosa
Amphilectus fucorum
1 reference
stated in
Novel sterols from the sponge esperiopsis edwardii
Identifiers
InChI
InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,17-19,22-25H,7,9-16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1
0 references
InChIKey
NADSFPYUTGUROD-UAJHHUEASA-N
0 references
PubChem CID
21159875
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57514849
1 reference
stated in
UniChem
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