Cas no 55855-00-0 (1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate)
55855-00-0 structure
Product Name:1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
CAS No:55855-00-0
MF:C32H49NO5
MW:527.735170125961
CID:1595644
PubChem ID:185822
Update Time:2025-04-21
1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate Chemical and Physical Properties
Names and Identifiers
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- 1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
- 55855-00-0
- DTXSID10971257
- 1-(1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate
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- Inchi: 1S/C32H49NO5/c1-18(2)20-9-13-29(5)21-10-15-31-12-7-8-23(31)32(29,25(20)33-26(21)31)16-22(37-19(3)34)27(35)28(4)17-36-30(6)14-11-24(28)38-30/h18,20-26,33H,7-17H2,1-6H3
- InChI Key: HGRGIRWGMLFVRL-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C(C(C1(C)COC2(C)CCC1O2)=O)CC12C3C(C(C)C)CCC1(C)C1CCC4(CCCC24)C1N3
Computed Properties
- Exact Mass: 527.36107366g/mol
- Monoisotopic Mass: 527.36107366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- Rotatable Bond Count: 7
- Complexity: 1040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 12
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 73.9?2
1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl)-3-[6a-methyl-9-(propan-2-yl)dodecahydro-10aH-10,3a,6-(epiminomethanetriyl)benzo[e]azulen-10a-yl]-1-oxopropan-2-yl acetate Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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