Basic information
- CAS
10314-90-6- Standard SMILES
CC1(C)C(=O)C=CC2(C)C1CC(O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321- InChIKey
HCEYJYMNIQHPPK-UHFFFAOYSA-N- Molecular formula
- C26H32O6
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.21988874
Overview
Gedunin deacetyl- has been reported in Pseudocedrela kotschyi and Xylocarpus granatum with data available.
Names & identifiers
- Preferred name
- 10-(Furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydrooxireno(c)phenanthro(1,2-d)pyran-3,8(4H,7aH)-dione
- IUPAC
- 7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15-dione
Names & synonyms
DTXSID8090821210-(Furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydrooxireno(c)phenanthro(1,2-d)pyran-3,8(4H,7aH)-dione10-(Furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydrooxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dioneRefChem:1057206DTXCID0013372967-Deacetoxy-7-hydroxygeduninGEDUNIN DEACETYL-NSC309912CHEMBL1981983HCEYJYMNIQHPPK-UHFFFAOYSA-NNSC-30991216,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone
Show more names
D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-NCI60_0026631-(3-Furyl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl-1,5,6,6a,7,10a,10b,11,12,12a-decahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,8(3ah,4bh)-dione #16,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactoneD-Homo-24-nor-17-oxachola-1,22-triene-3,16-dione, 14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 925
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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