Cas no 34199-22-9 (Deowd)
Deowd structure
Product Name:Deowd
CAS No:34199-22-9
MF:C28H38O6
MW:470.597729206085
CID:310793
Update Time:2023-08-02
Deowd Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, d-lactone, (5a,6a,7a)- (9CI)
- DEOWD
- Deowd
-
- Inchi： 1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20?,21-,22-,23-,25-,26-,27+,28-/m0/s1
- InChI Key： DXWHOKCXBGLTMQ-MUCKJNAVSA-N
- SMILES： O1[C@@H]2[C@]3(CC=CC([C@]3(C)[C@H]3CC[C@]4(C)[C@@H]([C@](C)(C5CC(C)=C(C)C(=O)O5)O)CC[C@H]4[C@@H]3[C@H]12)=O)O
Computed Properties
- Exact Mass: 470.266839
- Monoisotopic Mass: 470.266839
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 1030
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 96.4
Experimental Properties
- Density: 1.264
- Boiling Point: 651.6°Cat760mmHg
- Flash Point: 215.7°C
- Refractive Index: 1.586
Deowd Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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