Cas no 126372-50-7 (8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI))
126372-50-7 structure
Product Name:8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI)
CAS No:126372-50-7
MF:C33H42O9
MW:582.68119096756
CID:213140
Update Time:2024-03-01
8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI)
- 8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentame
- 8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,[2S-(2R*,3R*,3aR*,4E,6S*,10E,12R*,13S*,13aS*)]-
- Euphornin H
- 8H-Cyclopentacyclododecen-8-one, 6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI)
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- Inchi： 1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27+,29-,30+,33+/m0/s1
- InChI Key： JDXJTMWWGZXTGE-DVZNHECKSA-N
- SMILES： [C@]12([H])[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](C)C[C@]1(OC(C)=O)[C@H](OC(C)=O)[C@@H](C)C=CC(C)(C)C(=O)C[C@@H](OC(C)=O)C(C)=C2 |t:29,43|
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 627.9±55.0 °C(Predicted)
- PSA: 52.54
8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
126372-50-7 (8H-Cyclopentacyclododecen-8-one,6,13,13a-tris(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-,(2S,3S,3aS,4E,6R,10E,12S,13R,13aR)- (9CI)) Related Products
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