Cas no 81531-21-7 (2H-3,9a-Methano-1-benzoxepin-10-one, 5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-, (3S,5S,5aS,6S,9S,9aR)-)
81531-21-7 structure
Product Name:2H-3,9a-Methano-1-benzoxepin-10-one, 5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-, (3S,5S,5aS,6S,9S,9aR)-
CAS No:81531-21-7
MF:C29H32O7
MW:492.560189247131
CID:2700525
Update Time:2024-03-01
2H-3,9a-Methano-1-benzoxepin-10-one, 5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-, (3S,5S,5aS,6S,9S,9aR)- Chemical and Physical Properties
Names and Identifiers
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- 2H-3,9a-Methano-1-benzoxepin-10-one, 5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-, (3S,5S,5aS,6S,9S,9aR)-
- [3S-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-5,6-bis(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one
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- Inchi： 1S/C29H32O7/c1-26(2)20-17-22(35-25(32)19-13-9-6-10-14-19)28(4)21(34-24(31)18-11-7-5-8-12-18)15-16-27(3,33)29(28,36-26)23(20)30/h5-14,20-22,33H,15-17H2,1-4H3/t20-,21+,22+,27+,28+,29+/m1/s1
- InChI Key： IMNKAIBGTMGZHC-XOAARHKISA-N
- SMILES： O1[C@]23C(=O)[C@@]([H])(C[C@H](OC(=O)C4=CC=CC=C4)[C@]2(C)[C@@H](OC(=O)C2=CC=CC=C2)CC[C@@]3(O)C)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- XLogP3: 3.11
2H-3,9a-Methano-1-benzoxepin-10-one, 5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-, (3S,5S,5aS,6S,9S,9aR)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Agarofurans
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Agarofurans
- Natural Products and Extracts Plant Extracts Plant based Mortonia greggii
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