基本情報
- CAS
13072-74-7- 標準SMILES
CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321- InChIKey
PMISPNORJONCHB-UHFFFAOYSA-N- 分子式
- C26H30O6
- 平均分子量
- 438.5 g/mol
- 単同位体質量
- 438.20423867
概要
7-Deacetoxy-7-oxogedunin has been reported in Swietenia mahagoni and Trichilia schomburgkii with data available.
名称と識別子
- 優先名称
- 7-Deacetyl-7-oxogedunin
- IUPAC
- 7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione
名称と別名
7-Deacetyl-7-oxogedunin13072-74-7Desacetoxy-oxo-7-gedunine7-Desacetoxy-7-oxogeduninNSC 3099087-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione16,17-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-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactoneD-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-ene-5,15,19-trioneRefChem:10597316,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactoneD-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,13alpha,14beta,15beta,17aalpha)-
名称をさらに表示
16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactone (8CI)PMISPNORJONCHB-UHFFFAOYSA-N7-Oxo-7-deacetoxygedunin7-deacetoxy-7-oxogeduninNSC3099087-Oxodeacetoxydihydro-..-gedunolGEDUNIN, 7-KETOSCHEMBL20639417
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 86.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 967
関連反応
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