肟并[c]菲并[1,2-d]吡喃-3,8(3aH,4bH)-二酮,5-(乙酰氧基)-1-(3-呋喃基)十二氢-4b,7,7,10a,12a-五甲基-(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)- | 2629-11-0
肟并[c]菲并[1,2-d]吡喃-3,8(3aH,4bH)-二酮,5-(乙酰氧基)-1-(3-呋喃基)十二氢-4b,7,7,10a,12a-五甲基-(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-
Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione,5-(acetyloxy)-1-(3-furanyl)dodecahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-
2629-11-0
C28H36O7
484.58124
名称和标识符
InChIKey |
ROWFSYNHZPRCKO-UHFFFAOYSA-N |
Inchi |
InChI=1S/C28H36O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-18,20-22H,7-8,10-11,13H2,1-6H3 |
SMILES |
CC(OC1CC2C(C(CCC2(C)C2C1(C13OC1C(=O)OC(C1C=COC=1)C3(C)CC2)C)=O)(C)C)=O |
别名信息
- 英文别名 -
- Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione,5-(acetyloxy)-1-(3-furanyl)dodecahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-
- (13α,17aα)-7α-(Acetyloxy)-14β,15β:21,23-diepoxy-4,4,8-trimethyl-D-homo-24-nor-17-oxa-5α-chola-20,22-diene-3,16-dione
- Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione,5-(acetyloxy)-1-(3-furanyl)dodecahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3a
- DTXSID30949150
- 2629-11-0
- 10-(Furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxohexadecahydrooxireno[c]phenanthro[1,2-d]pyran-6-yl acetate
- Spiro(oxirane-2,14'-(8-beta)podocarp(1)ene)-3-carboxylic acid, 13'-beta- (3-furylhydroxymethyl)-7'-alpha-hydroxy-8',13'-dimethyl-3'-oxo-, 3,13'-lactone, acetate
物化性质
实验特性
计算特性
精确分子量 |
484.24618 |
氢键供体数量 |
0 |
氢键受体数量 |
7 |
可旋转化学键数量 |
3 |
同位素质量 |
484.24610348g/mol |
重原子数量 |
35 |
复杂度 |
990 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
7 |
不确定原子立构中心数量 |
2 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4 |
拓扑分子极性表面积 |
95.3Ų |