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(Q105297664)
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English
2-[3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]prop-2-enal
group of stereoisomers with the chemical formula C₃₀H₄₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
454.344695332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₃
0 references
canonical SMILES
O=CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
0 references
Identifiers
InChI
InChI=1S/C30H46O3/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h17,20-23,25,32H,1,7-16,18H2,2-6H3
0 references
InChIKey
VVGUCLDOXVGZMK-UHFFFAOYSA-N
0 references
PubChem CID
73880838
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VVGUCLDOXVGZMK-UHFFFAOYSA-N
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