methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate
methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate · CAS 305818-39-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate
- CAS
- 305818-39-7
- CID
- 10529722
- IUPAC 名称
- methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate
- CAS
- 305818-39-7
- CID
- 10529722
- IUPAC 名称
- methyl (4aS,6aR,6bS,8aR,11Z,12aS,14aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,5,6,7,8,8a,12,14a,14b-decahydro-1H-picene-4a-carboxylate
分子属性
- 分子式
- C32H46O5
- 分子量
- 510.7 g/mol
- 精确质量
- 510.33452456 Da
- 单同位素质量
- 510.33452456 Da
- XLogP
- 7
- 极性表面积
- 80.7 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 1130
结构标识
- InChIKey
- GSNKQDWMPICBIX-QWJVYCIRSA-N
- SMILES
- C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C/C(=C/O)/C(=O)C5(C)C)C)C)(C)C)C(=O)OC
- InChI
- InChI=1S/C32H46O5/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15,18,20,22,24,33H,9-14,16-17H2,1-8H3/b19-18-/t20-,22-,24-,29-,30+,31+,32-/m0/s1