Cas no 79464-34-9 (Inuchinenolide B)
Inuchinenolide B structure
Product Name:Inuchinenolide B
CAS No:79464-34-9
MF:C17H22O5
MW:306.353585720062
CID:2016837
PubChem ID:57399053
Update Time:2025-04-21
Inuchinenolide B Chemical and Physical Properties
Names and Identifiers
-
- Inuchinenolide B
- Q27137689
- 79464-34-9
- CHEBI:69348
- (3aR,4aR,5R,7S,9aR)-5-Hydroxy-5,8-dimethyl-3-methylene-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
- CHEMBL1911142
- (3aR,4aR,5R,7S,9aR)-5-Hydroxy-5,8-dimethyl-3-methylene-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydroazuleno[6,5-b]furan-7-ylacetate
- (3aR,4aR,5R,7S,9aR)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydroazuleno[6,5-b]furan-7-yl acetate
- [(3aR,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
- ((3aR,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,6,7,8a,9,9a-hexahydro-3aH-azuleno(6,5-b)furan-6-yl) acetate
- (3aR,4aR,5R,7S,9aR)-5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,5,6,7,9,9a-decahydroazuleno(6,5-b)furan-7-yl acetate
-
- Inchi： 1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h11-14,20H,2,5-7H2,1,3-4H3/t11-,12-,13-,14+,17-/m1/s1
- InChI Key： PHMCCYUSORUPSX-MNLSVMLLSA-N
- SMILES： O[C@]1(C)C[C@@H](C2=C(C)C[C@@H]3[C@@H](C(=C)C(=O)O3)C[C@@H]12)OC(C)=O
Computed Properties
- Exact Mass: 306.14672380g/mol
- Monoisotopic Mass: 306.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 590
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.787
- Topological Polar Surface Area: 72.8?2
Inuchinenolide B Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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