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(Q76512380)
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English
3-[(8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14-Hydroxy-3-oxocarda-4,20(22)-dienolide
1 reference
based on heuristic
inferred from SMILES
mass
370.21440943999994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₄
0 references
canonical SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C
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Identifiers
InChI
InChI=1S/C23H30O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11-12,17-19,26H,3-10,13H2,1-2H3/t17-,18+,19-,21+,22-,23+/m1/s1
0 references
InChIKey
PDHLJIBDBNGBOL-QZGNAIIZSA-N
0 references
CAS Registry Number
1247-04-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
23617449
0 references
UniChem compound ID
30749339
1 reference
stated in
UniChem
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