Cas no 92279-92-0 (Macrophorin D)
Macrophorin D structure
Product Name:Macrophorin D
CAS No:92279-92-0
MF:C28H40O8
MW:504.612409591675
CID:1996223
PubChem ID:11005657
Update Time:2025-04-21
Macrophorin D Chemical and Physical Properties
Names and Identifiers
-
- Macrophorin D
- DTXSID001098343
- 92279-92-0
- Pentanedioic acid, 3-hydroxy-3-methyl-, 1-[[(1R,2R,6R)-6-[[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl] ester, (3S)-
- SCHEMBL21707921
-
- Inchi： 1S/C28H40O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,23-24,33-34H,1,6-10,12-15H2,2-5H3,(H,30,31)
- InChI Key： QWFKAUWCRFDRMZ-UHFFFAOYSA-N
- SMILES： CC(CC(OCC1C(O)C2C(O2)(CC2C3(C(C(CCC3)(C)C)CCC2=C)C)C(=O)C=1)=O)(CC(=O)O)O
Computed Properties
- Exact Mass: 504.27231823Da
- Monoisotopic Mass: 504.27231823Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 36
- Rotatable Bond Count: 9
- Complexity: 998
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 134?2
Macrophorin D Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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