Vespertilin
(1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one
Also Known As: Vespertilin|(1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one|(20S)-3beta,16beta-Dihydroxypregn-5-ene-20-carboxylic acid gamma-lactone|(20S)-3beta-Hydroxy-20-methyl-16beta,17alpha-16,21-epoxypregn-5-en-21-one|Pregn-5-ene-20-carboxylicacid,3,16-dihydroxy-,g-lactone,(3b,16b,20s)-(9ci)|(2S,4aR,4bS,6aS,6bR,7S,9aS,10aS,10bS)-2-Hydroxy-4a,6a,7-trimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydro-9-oxa-pentaleno[2,1-a]phenanthren-8-one|2-Hydroxy-4a,6a,7-trimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydro-8H-naphtho[2',1':4,5]indeno[2,1-b]furan-8-one
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.23514 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.23514 |
| Monoisotopic Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 33282-87-0 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC1=O |
| InChIKey | NROZBIHZZUIGDJ-VEVNUCLGSA-N |
Product Overview
Vespertilin (CAS 33282-87-0), with molecular formula C22H32O3 and molecular weight 344.23514 g/mol. IUPAC: (1S,2S,4S,7S,8R,9S,12S,13R,16S)-16-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-one.