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(Q105133995)
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English
Ergosta-4,24(28)-dien-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-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
396.339216028
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₄O
0 references
canonical SMILES
O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CCC(=C)C(C)C)C2(C)CC1
0 references
isomeric SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
0 references
found in taxon
Geodia cydonium
1 reference
stated in
Steroidal Ketones from the Sponge Geodia cydonium
Litophyton chabrolii
1 reference
stated in
A Novel 4α-Methyl Sterol from the Soft Coral Nephthea chabroli
Cyttaria johowii
1 reference
stated in
(24S)-3β-hydroxy-ergost-5-en-6-one from Cyttaria johowii
Amphilectus fucorum
1 reference
stated in
Novel sterols from the sponge esperiopsis edwardii
Venerupis philippinarum
1 reference
stated in
Steroids in the feces of a marine bivalve.
Identifiers
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-18,20,23-26H,3,7-16H2,1-2,4-6H3/t20-,23+,24-,25+,26+,27+,28-/m1/s1
0 references
InChIKey
JRMPVNVOLQJLJX-QVMRCSLBSA-N
0 references
PubChem CID
14753570
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRMPVNVOLQJLJX-QVMRCSLBSA-N
UniChem compound ID
34460546
1 reference
stated in
UniChem
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