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(Q82971970)
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English
15-(Acetyloxy)kaur-16-en-18-oic acid
group of stereoisomers with the chemical formula C₂₂H₃₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
360.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₂O₄
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canonical SMILES
O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)O)(C)C4CCC13C2)C
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isomeric SMILES
C=C1C2CC[C@H]3C4(C)CCCC(C)(C(=O)O)[C@H]4CCC3(C2)[C@@H]1OC(C)=O
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Identifiers
InChI
InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15?,16-,17-,18+,20?,21?,22?/m0/s1
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InChIKey
AQBQBBLJTDSVLC-LLQRNYNASA-N
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CAS Registry Number
6619-97-2
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PubChem CID
354614
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55764610
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10984680
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DSSTOX compound identifier
DTXCID701411889
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NSC number
606846
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