56691-82-8
Product Name:
(S)-2-Methylbutanoic acid [(3R,10R)-10-acetoxy-5aβ-acetoxymethyl-6β,7β-bis(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-9α-hydroxy-2,2,9-trimethyl-2H-3β,9aβ-methano-1-benzoxepin-5α-yl] ester
Formula:
C38H46O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 694.8 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 15 |
| Exact Mass | 694.29892690 g/mol |
| Monoisotopic Mass | 694.29892690 g/mol |
| Topological Polar Surface Area | 161 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |