Cas no 652145-41-0 ((1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one)
![(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one structure](https://ossimg.kuujia.com/scimg/652500/652145-41-0x500.png)
652145-41-0 structure
Product Name:(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CAS No:652145-41-0
MF:C11H18O5
MW:230.257624149323
CID:6643634
PubChem ID:3009696
Update Time:2024-03-02
(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one Chemical and Physical Properties
Names and Identifiers
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- caiophoraenin
- 652145-41-0
- ZVEZLXLQLYOFMK-DRZZNBKRSA-
- CHEMBL495270
- InChI=1/C11H18O5/c1-5-8-7(13)3-6(4-12)9(8)11(15-2)16-10(5)14/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,11+/m1/s1
- Cyclopenta[c]pyran-3(1H)-one, hexahydro-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-, (1S,4R,4aS,5S,7S,7aS)-
- (1S,4R,4aS,5S,7S,7aS)-Hexahydro-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methylcyclopenta[c]pyran-3(1H)-one
- (1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
- DTXSID601110212
- (+)-Caiophoraenin
-
- Inchi： 1S/C11H18O5/c1-5-8-7(13)3-6(4-12)9(8)11(15-2)16-10(5)14/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,11+/m1/s1
- InChI Key： ZVEZLXLQLYOFMK-DRZZNBKRSA-N
- SMILES： O1C([C@H](C)[C@H]2[C@H](C[C@H](CO)[C@@H]2[C@H]1OC)O)=O
Computed Properties
- Exact Mass: 230.11542367g/mol
- Monoisotopic Mass: 230.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 76?2
(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one Related Literature
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2. Agricultural
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Szilvia Nagy,János Pipek Phys. Chem. Chem. Phys., 2015,17, 31558-31565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
652145-41-0 ((1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one) Related Products
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