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(Q105268132)
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English
TZGJOUJTBYDSOX-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₉H₈₀O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
940.5395511
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₉H₈₀O₁₇
0 references
canonical SMILES
O=C(C)C1CCC2(O)C3(O)CC=C4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(OC)C8)C(OC)C7)C(OC)C6)C(OC)C5)CCC4(C)C3CC(O)C12C
0 references
found in taxon
Asclepias tuberosa
1 reference
stated in
An androstane bioside and 3'-thiazolidinone derivatives of doubly-linked cardenolide glycosides from the roots of Asclepias tuberosa
Identifiers
InChI
InChI=1S/C49H80O17/c1-24(50)31-14-17-49(54)47(31,7)37(51)23-36-46(6)15-13-30(18-29(46)12-16-48(36,49)53)63-38-20-33(56-9)43(26(3)60-38)65-40-22-35(58-11)45(28(5)62-40)66-41-21-34(57-10)44(27(4)61-41)64-39-19-32(55-8)42(52)25(2)59-39/h12,25-28,30-45,51-54H,13-23H2,1-11H3
0 references
InChIKey
TZGJOUJTBYDSOX-UHFFFAOYSA-N
0 references
PubChem CID
85238257
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
TZGJOUJTBYDSOX-UHFFFAOYSA-N
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