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(Q105246124)
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English
1-Acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
group of stereoisomers with the chemical formula C₂₉H₄₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
458.339609952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₆O₄
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canonical SMILES
O=C(O)C12CCC(C(=O)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
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found in taxon
Alphitonia incana
1 reference
stated in
Flavonol Glycosides and Cytotoxic Triterpenoids fromAlphitonia Philippinensis
Alphitonia philippinensis
1 reference
stated in
Flavonol Glycosides and Cytotoxic Triterpenoids fromAlphitonia Philippinensis
Melaleuca ericifolia
1 reference
stated in
A New Norlupene from the Leaves of Melaleuca leucadendron
Identifiers
InChI
InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)
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InChIKey
RVMPLOSJMIQORE-UHFFFAOYSA-N
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PubChem CID
12314362
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
48041193
1 reference
stated in
UniChem
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