Cas no 68676-58-4 (Cev-8-ene-3,6,20-triol; (3α,5α,6β,20β,25α)-form)
68676-58-4 structure
Product Name:Cev-8-ene-3,6,20-triol; (3α,5α,6β,20β,25α)-form
CAS No:68676-58-4
MF:C27H43NO3
MW:429.635228395462
CID:523296
Update Time:2024-03-01
Cev-8-ene-3,6,20-triol; (3α,5α,6β,20β,25α)-form Chemical and Physical Properties
Names and Identifiers
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- Cevane-3,6,20-triol,8,9-didehydro-, (3a,5a,6b,25a)- (9CI)
- (5α,25α)-8,9-Didehydrocevane-3α,6β,20-triol
- Edpetisidine
- CID 101316936
- Cevane-3,6,20-triol, 8,9-didehydro-, (3α,5α,6β,25α)- (9CI)
- Cev-8-ene-3,6,20-triol; (3α,5α,6β,20β,25α)-form
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- Inchi： 1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-18,20-21,23-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,20+,21+,23-,24-,25+,26-,27?/m1/s1
- InChI Key： GMZIMBTYRUMGQP-DSEWAQRHSA-N
- SMILES： OC1(C)[C@@H]2CC[C@@H](C)CN2C[C@@H]2[C@@H]1CC[C@H]1C3C[C@H]([C@H]4C[C@@H](CC[C@]4(C)C=3C[C@@H]21)O)O
Computed Properties
- Exact Mass: 429.324
- Monoisotopic Mass: 429.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 780
- 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: 63.9
Cev-8-ene-3,6,20-triol; (3α,5α,6β,20β,25α)-form Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cerveratrum-type alkaloids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Cerveratrum-type alkaloids
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