Pseudojervine
(3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Also Known As: Pseudojervine|AC1L1XKL|G89100|(3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
| Molecular Formula | C33H49NO8 |
|---|---|
| Molecular Weight | 587.3458 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 137.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 587.3458 |
| Heavy Atoms | 42 |
| Complexity | 1168.7 |
Chemical Identifiers
| CAS Number | 36069-05-3 |
|---|---|
| SMILES | CC1C[C@@H]2[C@H](C([C@]3(O2)CCC4C5CC=C6C[C@H](CCC6(C5C(=O)C4=C3C)C)O[C@H]7C(C([C@@H](C(O7)CO)O)O)O)C)NC1 |
Product Overview
Pseudojervine (CAS 36069-05-3), with molecular formula C33H49NO8 and molecular weight 587.3458 g/mol. IUPAC: (3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one.
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