Cas no 35930-38-2 (Leiocalycin)
Leiocalycin structure
Product Name:Leiocalycin
CAS No:35930-38-2
MF:C18H14O7
MW:342.299565792084
CID:2020994
PubChem ID:44257504
Update Time:2025-04-21
Leiocalycin Chemical and Physical Properties
Names and Identifiers
-
- Leiocalycin
- Leiocalyin
- 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene
- 35930-38-2
- 14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-15-ol
- LMPK12070157
- 14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-1(12),2,4(8),9,13,15,17-heptaen-15-ol
-
- Inchi： 1S/C18H14O7/c1-20-14-5-13-15(18(21-2)16(14)19)17-9(6-22-13)8-3-11-12(24-7-23-11)4-10(8)25-17/h3-5,19H,6-7H2,1-2H3
- InChI Key： QBUHOSURLPCJPE-UHFFFAOYSA-N
- SMILES： COC1C(O)=C(OC)C2=C(OCC3C4C(=CC5=C(C=4)OCO5)OC=32)C=1
Computed Properties
- Exact Mass: 342.07395278Da
- Monoisotopic Mass: 342.07395278Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 502
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.188
- Topological Polar Surface Area: 79.5?2
Leiocalycin Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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