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77449-33-3 | 4-methoxy-6-[(1r,3ar,4r,6ar)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
CAS No: 77449-33-3 Catalog No: AG0053FE MDL No:
Product Description
Catalog Number:
AG0053FE
Chemical Name:
4-methoxy-6-[(1r,3ar,4r,6ar)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
CAS Number:
77449-33-3
Molecular Formula:
C23H26O8
Molecular Weight:
430.4477
IUPAC Name:
6-[(3R,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
InChI:
InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20-,21-/m0/s1
InChI Key:
DHWUVPPRBIJJKS-PBFVBANWSA-N
SMILES:
COc1cc(cc(c1OC)OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2c1cc(OC)c2c(c1)OCO2
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
430.163g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.453g/mol
Monoisotopic Mass:
430.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Constituents of the twigs of Hernandia ovigera that inhibit the transformation of JB6 murine epidermal cells. | Journal of natural products 20020701 |
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