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English
andrastin D (tautomer)
chemical compound
methyl 15-hydroxy-4,4,8alpha,12,16-pentamethyl-3,17-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate
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Statements
instance of
type of chemical entity
0 references
subclass of
andrastin
0 references
mass
428.25627425199997
dalton
1 reference
based on heuristic
inferred from SMILES
tautomer of
andrastin D
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chemical formula
C₂₆H₃₆O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C12C(O)=C(C)C(=O)C1(C)C(C)=CC1C3(C)CCC(=O)C(C)(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)[C@@]12C(O)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H36O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-17,29H,9-12H2,1-8H3/t16-,17+,23-,24+,25+,26-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
OVCUEWPSMQMSOY-UWWAQUNASA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
10477690
reason for deprecated rank
does not exactly match
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
142874
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
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