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Basic information
- CAS
150840-83-8- Standard SMILES
C=C(CSCCO)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCCC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12- InChIKey
UVSAVYCJNRMRFC-BOWRCTOHSA-N- Molecular formula
- C43H73NO5S
- Average molar mass
- 716.126 g/mol
- Monoisotopic mass
- 715.52094544
Names & identifiers
- Preferred name
- 11-({3,28-Dihydroxy-29-[(2-hydroxyethyl)sulfanyl]lup-20(30)-en-28-ylidene}amino)undecanoic acid
- IUPAC
- 11-{[(9xi,19R)-3beta,28-Dihydroxy-29-[(2-hydroxyethyl)sulfanyl]lup-20(30)-en-28-ylidene]amino}undecanoic acid
Database identifiers
- CAS
150840-83-8- PubChem CID
- 463510
- DTXSID
DTXSID30934102- ChEMBL
CHEMBL275727
Related reactions
0 records
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Compound notes
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