Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl) acetate
Also Known As: Acetylsolasodine|O-Acetylsolasodine|Solasodine acetate|3-Acetyl-solasodine|Solasodine 3-acetate|Solasodine, acetate (ester)|Spirosol-5-en-3-yl acetate|Solasodine, 3-O-acetyl-|Spirosol-5-en-3-yl acetate #|Solasod-5-en-3.beta.-ol, acetate (ester)|NCI60_042142|Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)-|Spirosol-5-en-3-ol, acetate (ester), (3.beta.,22.alpha.,25R)-|Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-
| Molecular Formula | C29H45NO3 |
|---|---|
| Molecular Weight | 455.33994 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.33994 |
| Monoisotopic Mass | 455.33994 |
| Heavy Atoms | 33 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 6205-72-7 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1 |
| InChIKey | MCQNPWNREVNWDQ-UHFFFAOYSA-N |
Product Overview
Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- (CAS 6205-72-7), with molecular formula C29H45NO3 and molecular weight 455.33994 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl) acetate.