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4-[(7-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}heptyl)carbamoyl]benzoic acid

HCID 463501
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Basic information

CAS
174740-66-0
Standard SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCNC(=O)c3ccc(C(=O)O)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChIKey
RTMRDULKFJEXQE-LWGJPUDRSA-N
Molecular formula
C45H68N2O5
Average molar mass
717.048 g/mol
Monoisotopic mass
716.51282328

Names & identifiers

Preferred name
4-[(7-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}heptyl)carbamoyl]benzoic acid
IUPAC
4-[(7-{[(19R)-3beta,28-Dihydroxylup-20(29)-en-28-ylidene]amino}heptyl)carbamoyl]benzoic acid

Database identifiers

CAS
174740-66-0
PubChem CID
463501
DTXSID
DTXSID20938578

Related reactions

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Compound notes

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