Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)-
Basic information
- CAS
150840-36-1- Standard SMILES
C=C(CO)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCCC(=O)O)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
PHUINIJKUQYVRI-OMDZWSJNSA-N- Molecular formula
- C41H69NO5
- Average molar mass
- 656 g/mol
- Monoisotopic mass
- 655.5175743
Names & identifiers
- Preferred name
- Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)-
- IUPAC
- 11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-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-carbonyl]amino]undecanoic acid
Names & synonyms
RP72046150840-36-1Undecanoic acid, 11-(((3beta)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl)amino)-DTXSID7093408011-{[3,28,29-Trihydroxylup-20(30)-en-28-ylidene]amino}undecanoic acid11-{[3beta,28,29-Trihydroxylup-20(30)-en-28-ylidene]amino}undecanoic acidUndecanoic acid, 11-[[(3.beta.)-3,30-dihydroxy-28-oxolup-20(29)-en-28-yl]amino]-11-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-1-[1-(hydroxymethyl)vinyl]-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-carbonyl]amino]undecanoic acid
Database identifiers
- CAS
150840-36-1- PubChem CID
- 455244
- DTXSID
DTXSID70934080- Nikkaji
- J739.642B
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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