7,8-Dihydroxycalonectrin
(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Also Known As: 7,8-Dihydroxycalonectrin|7,8-Dihydroxy calonectrin|7a,8a-Dihydroxycalonectrin|7alpha,8alpha-Dihydroxycalonectrin|(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
CAS: 95673-99-7
| Molecular Formula | C19H26O8 |
|---|---|
| Molecular Weight | 382.16278 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.16278 |
| Monoisotopic Mass | 382.16278 |
| Heavy Atoms | 27 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 95673-99-7 |
|---|---|
| SMILES | CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C |
| InChIKey | JSKXQQKSUOVSKS-UHFFFAOYSA-N |
Product Overview
7,8-Dihydroxycalonectrin (CAS 95673-99-7), with molecular formula C19H26O8 and molecular weight 382.16278 g/mol. IUPAC: (10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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