Cas no 181294-94-0 (Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)-)
![Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)- structure](https://ossimg.kuujia.com/scimg/181500/181294-94-0x500.png)
181294-94-0 structure
Product Name:Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)-
CAS No:181294-94-0
MF:C15H20O3
MW:248.317504882813
CID:2735277
PubChem ID:10354648
Update Time:2024-03-01
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)- Chemical and Physical Properties
Names and Identifiers
-
- Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)-
- DTXSID401100734
- CHEMBL3235987
- 181294-94-0
- rel-(+)-(2'R,4'S)-1',2',3',4'-Tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylenespiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one
- Illudin C2
- Psathyrellon B
-
- Inchi： 1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3/t13-,14-/m0/s1
- InChI Key： QZJXMQBEUMDWAU-KBPBESRZSA-N
- SMILES： O[C@@]1(C)C2=C(C(C(=C)C31CC3)=O)C[C@](C)(CO)C2
Computed Properties
- Exact Mass: 248.14124450g/mol
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 498
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 57.5?2
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
181294-94-0 (Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 1',2',3',4'-tetrahydro-4'-hydroxy-2'-(hydroxymethyl)-2',4'-dimethyl-6'-methylene-, (2'R,4'S)-rel-(+)-) Related Products
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