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(Q104915048)
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English
5-(2,3a,5a-trihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl)pyran-2-one
group of stereoisomers with the chemical formula C₃₀H₄₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
bufanolide
1 reference
inferred from
bufanolide
mass
580.2883622279998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₄O₁₁
0 references
canonical SMILES
O=C1OC=C(C=C1)C2C(O)CC3(O)C4CCC5(O)CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C
0 references
Identifiers
InChI
InChI=1S/C30H44O11/c1-27-8-5-16(40-26-25(36)24(35)23(34)20(13-31)41-26)11-29(27,37)10-7-18-17(27)6-9-28(2)22(19(32)12-30(18,28)38)15-3-4-21(33)39-14-15/h3-4,14,16-20,22-26,31-32,34-38H,5-13H2,1-2H3
0 references
InChIKey
ANAHNOBSBAKDHZ-UHFFFAOYSA-N
0 references
PubChem CID
14888416
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANAHNOBSBAKDHZ-UHFFFAOYSA-N
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