Cas no 22471-59-6 (Isoishwarone)
Isoishwarone structure
Product Name:Isoishwarone
CAS No:22471-59-6
MF:C15H22O
MW:218.334584712982
CID:271123
Update Time:2024-03-04
Isoishwarone Chemical and Physical Properties
Names and Identifiers
-
- 5H-2,4a-Ethanonaphthalen-5-one,1,2,6,7,8,8a-hexahydro-3,8,8a-trimethyl-, (2R,4aS,8R,8aS)- (9CI)
- (2R)-1,2,6,7,8,8a-Hexahydro-3,8β,8aβ-trimethyl-5H-2β,4aβ-ethanonaphthalen-5-one
- (-)-Isoishwarone
- 5H-2,4a-Ethanonaphthalen-5-one, 1,2,6,7,8,8a-hexahydro-3,8,8a-trimethyl-,[2R-(2a,4aa,8a,8aa)]-
- 5H-2,4a-Ethanonaphthalen-5-one,1,2,6,7,8,8a-hexahydro-3,8,8a-trimethyl-, (2R,4aS,8R,8aS)-(-)- (8CI)
- endo-Isoishwarone
- Isoishwarone
-
- Inchi： 1S/C15H22O/c1-10-8-15-7-6-12(10)9-14(15,3)11(2)4-5-13(15)16/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,14+,15-/m1/s1
- InChI Key： BZQBIJBQXLBSQP-RJZRQDKASA-N
- SMILES： O=C1CC[C@@H](C)[C@]2(C)C[C@@H]3C(C)=C[C@@]21CC3
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 381
- Topological Polar Surface Area: 17.1
- XLogP3: 4.163
Isoishwarone Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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