Cas no 1318005-71-8 (3alpha-hydroxy-11-methoxyolean-11-en-28,13beta-olide)
1318005-71-8 structure
Product Name:3alpha-hydroxy-11-methoxyolean-11-en-28,13beta-olide
CAS No:1318005-71-8
MF:C30H46O4
MW:470.683849811554
CID:2047503
PubChem ID:53493585
Update Time:2025-04-21
3alpha-hydroxy-11-methoxyolean-11-en-28,13beta-olide Chemical and Physical Properties
Names and Identifiers
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- 3alpha-hydroxy-11-methoxyolean-11-en-28,13beta-olide
- fatsicarpain G
- Olean-11-en-28-oic acid, 3,13,23-trihydroxy-, gamma-lactone, (3alpha,4alpha)-
- DTXSID401166988
- 1318005-71-8
- rel-(3alpha)-3,23-Dihydroxy-13,28-epoxyolean-11-en-28-one
- CHEMBL1823030
- CHEBI:69222
- Q27137561
- Olean-11-en-28-oic acid, 3,13,23-trihydroxy-, I(3)-lactone, (3I+/-,4I+/-)-
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- Inchi： 1S/C30H46O4/c1-24(2)13-15-29-16-14-28(6)27(5)11-7-19-25(3,10-9-22(32)26(19,4)18-31)20(27)8-12-30(28,21(29)17-24)34-23(29)33/h8,12,19-22,31-32H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22-,25+,26+,27-,28+,29+,30+/m1/s1
- InChI Key： CEBUWXCYJVYZSN-XEMCBIIJSA-N
- SMILES： O1C([C@]23CCC(C)(C)C[C@H]2[C@@]21C=C[C@@H]1[C@@]4(C)CC[C@H]([C@@](C)(CO)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3)O)=O
Computed Properties
- Exact Mass: 470.33960994g/mol
- Monoisotopic Mass: 470.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 956
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 66.8?2
3alpha-hydroxy-11-methoxyolean-11-en-28,13beta-olide Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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