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(Q105187606)
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English
3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
group of stereoisomers with the chemical formula C₃₁H₄₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
bufanolide
1 reference
inferred from
bufanolide
mass
560.2985329879998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₄O₉
0 references
canonical SMILES
O=CC12CCC(OC3OC(C)C(O)C(OC)C3O)CC2CCC4C1CCC5(C)C(C6=COC(=O)C=C6)CCC45O
0 references
Identifiers
InChI
InChI=1S/C31H44O9/c1-17-25(34)27(37-3)26(35)28(39-17)40-20-8-12-30(16-32)19(14-20)5-6-23-22(30)9-11-29(2)21(10-13-31(23,29)36)18-4-7-24(33)38-15-18/h4,7,15-17,19-23,25-28,34-36H,5-6,8-14H2,1-3H3
0 references
InChIKey
NYOVJCZRJINYSI-UHFFFAOYSA-N
0 references
PubChem CID
3738594
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NYOVJCZRJINYSI-UHFFFAOYSA-N
UniChem compound ID
58523473
1 reference
stated in
UniChem
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