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(Q105246920)
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English
(4-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) octadecanoate
group of stereoisomers with the chemical formula C₄₈H₈₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
708.642046548
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₈H₈₄O₃
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)C(O)CC43C)C1(C)C)CCCCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C48H84O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(50)51-41-30-32-45(6)38(44(41,4)5)29-33-47(8)39(45)27-26-37-43-36(35(2)3)28-31-46(43,7)40(49)34-48(37,47)9/h36-41,43,49H,2,10-34H2,1,3-9H3
0 references
InChIKey
RXCDKNSBNSTUOW-UHFFFAOYSA-N
0 references
PubChem CID
72788896
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RXCDKNSBNSTUOW-UHFFFAOYSA-N
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