rel-(4''aR,5'S,6''aR,8''S,10''bS)-2,2,3'',3'',6''a,8'',10''b-heptamethyldecahydro-3''H-dispiro[[1,3]dioxepane-5,2'-oxolane-5',7''-naphtho[2,1-d][1,3]dioxine]
Chemical Structure Depiction of
rel-(4''aR,5'S,6''aR,8''S,10''bS)-2,2,3'',3'',6''a,8'',10''b-heptamethyldecahydro-3''H-dispiro[[1,3]dioxepane-5,2'-oxolane-5',7''-naphtho[2,1-d][1,3]dioxine]
rel-(4''aR,5'S,6''aR,8''S,10''bS)-2,2,3'',3'',6''a,8'',10''b-heptamethyldecahydro-3''H-dispiro[[1,3]dioxepane-5,2'-oxolane-5',7''-naphtho[2,1-d][1,3]dioxine]
Compound characteristics
| Compound ID: | N088-0026 |
| Compound Name: | rel-(4''aR,5'S,6''aR,8''S,10''bS)-2,2,3'',3'',6''a,8'',10''b-heptamethyldecahydro-3''H-dispiro[[1,3]dioxepane-5,2'-oxolane-5',7''-naphtho[2,1-d][1,3]dioxine] |
| Molecular Weight: | 436.63 |
| Molecular Formula: | C26 H44 O5 |
| Smiles: | C[C@@H]1CCC2[C@](C)(CC[C@H]3[C@@]2(C)COC(C)(C)O3)[C@@]12CCC1(CCOC(C)(C)OC1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3723 |
| logD: | 5.3723 |
| logSw: | -5.5248 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.554 |
| InChI Key: | JPCPUGHXRFGTIL-XTCSIHTISA-N |