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English
Dregeoside Aa1
group of stereoisomers with the chemical formula C₄₉H₇₈O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
938.5239010360006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₉H₇₈O₁₇
0 references
canonical SMILES
O=C(OC1C(OC(=O)CC(C)C)C2(C)C(C(=O)C)CCC2(O)C3CC=C4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(O)C(OC)C7O)C(OC)C6)C(OC)C5)CCC4(C)C13)C
0 references
Identifiers
InChI
InChI=1S/C49H78O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-34(57-11)42(27(6)60-37)66-46-40(54)44(58-12)39(53)25(4)61-46/h13,23,25-27,30-34,36-46,53-55H,14-22H2,1-12H3
0 references
InChIKey
YBYQJMJCNJMYGM-UHFFFAOYSA-N
0 references
PubChem CID
131850916
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
YBYQJMJCNJMYGM-UHFFFAOYSA-N
UniChem compound ID
163935304
1 reference
stated in
UniChem
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