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(Q82905826)
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English
12-Oxospirosta-5,25(27)-dien-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl-(1->4)hexopyranoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
spirostans
0 references
mass
1,074.4883033760007
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅₁H₇₈O₂₄
0 references
canonical SMILES
O=C1CC2C(CC=C3CC(OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC7OC(CO)C(O)C(O)C7O)C(O)C4O)CCC32C)C8CC9OC%10(OCC(=C)CC%10)C(C)C9C18C
0 references
Identifiers
InChI
InChI=1S/C51H78O24/c1-19-7-10-51(66-18-19)20(2)32-26(75-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)67-45-41(65)38(62)42(30(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)28(15-53)69-47)43(35(59)29(16-54)70-48)73-46-39(63)36(60)33(57)27(14-52)68-46/h5,20,22-30,32-48,52-55,57-65H,1,6-18H2,2-4H3
0 references
InChIKey
BIHZKQDCPFYJMI-UHFFFAOYSA-N
0 references
CAS Registry Number
139390-87-7
0 references
PubChem CID
197406
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BIHZKQDCPFYJMI-UHFFFAOYSA-N
UniChem compound ID
65482730
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40930458
1 reference
matched by identifier from
InChIKey
InChIKey
BIHZKQDCPFYJMI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601359185
0 references
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