Cas no 90108-63-7 (Ophiobolin G)
Ophiobolin G structure
Product Name:Ophiobolin G
CAS No:90108-63-7
MF:C25H34O2
MW:366.536267757416
CID:891423
PubChem ID:11314593
Update Time:2024-04-25
Ophiobolin G Chemical and Physical Properties
Names and Identifiers
-
- OPHIOBOLIN G
- (1R,3S,7R,8E,11S,12R)-1,4-Dimethyl-12-[(2S,3E)-6-methylhepta-3,5-dien-2-yl]-6-oxotricyclo[9.3.0.03,7
- 90108-63-7
- S98DY84H9M
- UNII-S98DY84H9M
- (3aS,6aS,7R,9aR,10aS)-7-((1S,2Z)-1,5-Dimethyl-2,4-hexadien-1-yl)-3,3a,6,6a,7,8,9,9a,10,10a-decahydro-1,9a-dimethyl-3-oxodicyclopenta(a,d)cyclooctene-4-carboxaldehyde
- Dicyclopenta(a,d)cyclooctene-4-carboxaldehyde, 7-((1S,2Z)-1,5-dimethyl-2,4-hexadien-1-yl)-3,3a,6,6a,7,8,9,9a,10,10a-decahydro-1,9a-dimethyl-3-oxo-, (3aS,6aS,7R,9aR,10aS)-
- BDBM50523080
- CHEMBL4174449
- Ophiobolin-g
- Ophiobola-3,7,17,19-tetraen-25-al, 5-oxo-, (17Z)-
- AKOS040734123
- BDBM50523070
- 6-epi-Ophiobolin G
- (1R,3S,7R,8E,11S,12R)-1,4-dimethyl-12-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde
- CHEBI:206507
- CHEMBL4160404
- Ophiobolin G
-
- Inchi： 1S/C25H34O2/c1-16(2)7-6-8-17(3)20-11-12-25(5)14-21-18(4)13-23(27)24(21)19(15-26)9-10-22(20)25/h6-9,13,15,17,20-22,24H,10-12,14H2,1-5H3/b8-6+,19-9-/t17-,20+,21+,22-,24-,25+/m0/s1
- InChI Key： RKNMPQSLAZUFIT-XBNXTXOTSA-N
- SMILES： O=C1C=C(C)[C@@H]2[C@@H]1C(C=O)=CC[C@H]1[C@@H]([C@H](/C=C/C=C(\C)/C)C)CC[C@]1(C)C2 |c:10|
Computed Properties
- Exact Mass: 366.255880323g/mol
- Monoisotopic Mass: 366.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 731
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1
- XLogP3: 5.8
Ophiobolin G Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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