Octanoic acid, 8-(((((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)acetyl)amino)-
Basic information
- CAS
150840-51-0- Standard SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)NCCCCCCCC(=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
YKVWITPBSDMGRO-KUFQZFQGSA-N- Molecular formula
- C40H66N2O5
- Average molar mass
- 655 g/mol
- Monoisotopic mass
- 654.49717321
Names & identifiers
- Preferred name
- Octanoic acid, 8-(((((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)acetyl)amino)-
- IUPAC
- 8-[[2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetyl]amino]octanoic acid
Names & synonyms
150840-51-0Octanoic acid, 8-(((((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)acetyl)amino)-Betulinic acid NH-CH2CONH-HepCOOH deriv.DTXSID10934084N'-[N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]-2-aminoacetyl]-8-aminooctanoic acid8-[(2-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyethylidene)amino]octanoic acid8-[(2-{[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyethylidene)amino]octanoic acid8-[[2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-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]acetyl]amino]octanoic acidOctanoic acid, 8-[[[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]acetyl]amino]-
Database identifiers
- CAS
150840-51-0- PubChem CID
- 463464
- DTXSID
DTXSID10934084
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…