Cas no 76225-44-0 ((3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione)
76225-44-0 structure
Product Name:(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione
CAS No:76225-44-0
MF:C18H22O3
MW:286.365485668182
CID:1778833
PubChem ID:156853
Update Time:2025-04-21
(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione Chemical and Physical Properties
Names and Identifiers
-
- (3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione
- 3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione
- 76225-44-0
- Ro 14 9012
- 3a,6-Dimethyl-1,2,8,9,9a,9b-hexahydrospiro[cyclopenta[a]naphthalene-3,2'-oxolane]-5',7(3aH)-dione
- Ro 14-9012
- Ro-14-9012
- DTXSID90997571
- 5-Oxo-A-tetranor-17-alpha-pregna-9,11-diene-21-17-carbolactone
- (3R,3aS,9aS,9bS)-3a,6-dimethylspiro[1,2,8,9,9a,9b-hexahydrocyclopenta[a]naphthalene-3,5'-oxolane]-2',7-dione
- Spiro(3H-benz(e)indene-3,2'(5'H)-furan)-5',7(3aH)-dione, 1,2,3',4',8,9,9a,9b-octahydro-3a,6-dimethyl-, (3R-(3alpha,3aalpha,9aalpha,9bbeta))-
-
- Inchi: 1S/C18H22O3/c1-11-12-5-8-17(2)14(13(12)3-4-15(11)19)6-9-18(17)10-7-16(20)21-18/h5,8,13-14H,3-4,6-7,9-10H2,1-2H3/t13-,14+,17+,18-/m1/s1
- InChI Key: SAZMIOXOXMTFMT-IDCJVQTKSA-N
- SMILES: O1C(CC[C@]21CC[C@H]1[C@@H]3CCC(C(C)=C3C=C[C@@]12C)=O)=O
Computed Properties
- Exact Mass: 286.15689456g/mol
- Monoisotopic Mass: 286.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 600
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 43.4?2
(3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
76225-44-0 ((3R,3aS,9aS,9bS)-3a,6-dimethyl-1,2,8,9,9a,9b-hexahydro-3'H-spiro[cyclopenta[a]naphthalene-3,2'-furan]-5',7(3aH,4'H)-dione) Related Products
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