Cas no 35796-71-5 (Zapoterin)
Zapoterin structure
Product Name:Zapoterin
CAS No:35796-71-5
MF:C26H30O8
MW:470.511608600616
CID:837126
PubChem ID:4482275
Update Time:2025-04-19
Zapoterin Chemical and Physical Properties
Names and Identifiers
-
- Zapoterin
- (5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-8-(3-Furyl)-6-hydroxy-1,1 ,5a,7a,11b-pentamethyl-5b,6,7,7a,8,11b,13,13a-octahydrooxireno[4, 4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,5aH,10aH)-trione
- 7-(Furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
- 35796-71-5
-
- Inchi： 1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3
- InChI Key： OZGKITZRRFNYRV-UHFFFAOYSA-N
- SMILES： O1C2C(=O)OC(C3=COC=C3)C3(C)CC(C4C5(C=CC(=O)OC(C)(C)C5CC(C4(C)C132)=O)C)O
Computed Properties
- Exact Mass: 470.19400
- Monoisotopic Mass: 470.19406791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 1020
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 116?2
Experimental Properties
- Color/Form: Powder
- PSA: 115.57000
- LogP: 2.89540
Zapoterin Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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