Betulinaldehyde
(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-carbaldehyde
Also Known As: Betulinicaldehyde|BETULINALDEHYDE|Betulinic aldehyde|Betulinal|Betulin aldehyde|Betunal|(S)-3-Amino-2-azepanone|Jsp001911|EX-A8002Q|HY-N0084|Lup-20(29)-en-28-al, 3beta-hydroxy-|FL 155|NP7033|s9153|3beta-Hydroxylup-20(29)-en-28-al|CS-2794|Lup-20(29)-en-28-al, 3-hydroxy-, (3beta)-|3beta-Hydroxy-lup-20(30)-en-28-al|BETULINIC ALDEHYDE (REFERENCE GRADE)|lup-20(29)-en-28-al, 3|A-hydroxy-
| Molecular Formula | C30H48O2 |
|---|---|
| Molecular Weight | 440.36542 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.36542 |
| Heavy Atoms | 32 |
| Complexity | 813.6 |
Chemical Identifiers
| CAS Number | 13159-28-9 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C=O |
Product Overview
Betulinaldehyde (CAS 13159-28-9), with molecular formula C30H48O2 and molecular weight 440.36542 g/mol. IUPAC: (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-carbaldehyde.
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