Cas no 1174174-31-2 (3alpha-O-acetylolean-12-en-23,29-dioic acid)
1174174-31-2 structure
Product Name:3alpha-O-acetylolean-12-en-23,29-dioic acid
CAS No:1174174-31-2
MF:C32H48O6
MW:528.719930648804
CID:2000407
Update Time:2025-04-21
3alpha-O-acetylolean-12-en-23,29-dioic acid Chemical and Physical Properties
Names and Identifiers
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- 3alpha-O-acetylolean-12-en-23,29-dioic acid
- aceriphyllic acid H
- (+)-Aceriphyllic acid H
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- Inchi： 1S/C32H48O6/c1-19(33)38-24-11-12-29(4)22-9-8-20-21-18-28(3,25(34)35)15-14-27(21,2)16-17-30(20,5)31(22,6)13-10-23(29)32(24,7)26(36)37/h8,21-24H,9-18H2,1-7H3,(H,34,35)(H,36,37)
- InChI Key： UFBADNGLONOAHT-UHFFFAOYSA-N
- SMILES： CC(OC1C(C(=O)O)(C)C2CCC3(C4(C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CCC3C2(C)CC1)C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- XLogP3: 8.353
3alpha-O-acetylolean-12-en-23,29-dioic acid Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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