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(Q105287406)
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English
VJONGHKCIXZWJG-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₄H₆₈O₁₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
900.4354799560006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₄H₆₈O₁₉
0 references
canonical SMILES
O=C(OC1CC2C3CC=C4CC(O)CC(OC5OCC(O)C(O)C5OC6OC(C)C(O)C(O)C6O)C4(C)C3CCC2(C)C1C(=O)C)CCC(=C)COC7OC(CO)C(O)C(O)C7O
0 references
Identifiers
InChI
InChI=1S/C44H68O19/c1-18(16-57-40-37(55)36(54)34(52)28(15-45)61-40)6-9-30(49)60-27-14-25-23-8-7-21-12-22(47)13-29(44(21,5)24(23)10-11-43(25,4)31(27)19(2)46)62-42-39(33(51)26(48)17-58-42)63-41-38(56)35(53)32(50)20(3)59-41/h7,20,22-29,31-42,45,47-48,50-56H,1,6,8-17H2,2-5H3
0 references
InChIKey
VJONGHKCIXZWJG-UHFFFAOYSA-N
0 references
PubChem CID
85404591
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
VJONGHKCIXZWJG-UHFFFAOYSA-N
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