Labdane diterpene, alpha-L-deoxyidopyranose
2-[5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: LABDANE DITERPENE, ALPHA-L-DEOXYIDOPYRANOSE|LABDANE DITERPENE, BETA-D-FUCOSIDE|LABDANE DITERPENE, O-|A-L-RHAMNOSIDE|LABDANE DITERPENE, O-ALPHA-L-RHAMNOSIDE|REF DUPL: N-phenylpiperidine-4-carboxamide hydrochloride|2-[5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methyl-pent-1-en-3-yl]oxy-6-methyl-oxane-3,4,5-triol|2-[5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C26H44O5 |
|---|---|
| Molecular Weight | 436.31888 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.31888 |
| Monoisotopic Mass | 436.31888 |
| Heavy Atoms | 31 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 77481-64-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC(C)(CCC2C(=CCC3C2(CCCC3(C)C)C)C)C=C)O)O)O |
| InChIKey | SHBMAOBNYQEHHP-UHFFFAOYSA-N |
Product Overview
Labdane diterpene, alpha-L-deoxyidopyranose (CAS 77481-64-2), with molecular formula C26H44O5 and molecular weight 436.31888 g/mol. IUPAC: 2-[5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy-6-methyloxane-3,4,5-triol.