Cas no 914475-09-5 (Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et)
914475-09-5 structure
Product Name:Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et
CAS No:914475-09-5
MF:C24H39NO8
MW:469.568368196487
CID:6650355
Update Time:2024-03-02
Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et Chemical and Physical Properties
Names and Identifiers
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- Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et
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- Inchi： 1S/C24H39NO8/c1-6-25-11-21(26)8-7-15(30-3)23-13-9-12-14(29-2)10-22(27,16(13)17(12)31-4)24(33-28,20(23)25)19(32-5)18(21)23/h12-20,26-28H,6-11H2,1-5H3/t12-,13-,14+,15-,16-,17-,18+,19+,20-,21+,22-,23-,24+/m1/s1
- InChI Key： OJTGVRVXRXFTNU-OYROXQJZSA-N
- SMILES： [C@@]12([C@]3(O)[C@@H]4[C@@H](C[C@@H]([C@H]4OC)[C@@H](OC)C3)[C@@]34[C@H]1N(CC)C[C@](CC[C@H]3OC)(O)[C@@H]4[C@@H]2OC)OO
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- XLogP3: -0.34
Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
914475-09-5 (Aconitane-1,4,6,7,8,14,16-heptol; (1α,5β,6β,14α,16β)-form, 7-Hydroperoxide, O1,O6,O14,O16-tetra-Me, N-Et) Related Products
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