Cas no 162857-85-4 ((10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione)
![(10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione structure](https://ossimg.kuujia.com/scimg/163000/162857-85-4x500.png)
162857-85-4 structure
Product Name:(10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione
CAS No:162857-85-4
MF:C28H38O3
MW:422.59952878952
CID:146751
Update Time:2024-03-01
(10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione Chemical and Physical Properties
Names and Identifiers
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- Ergosta-4,7,9(11),22-tetraene-3,6-dione,14-hydroxy-, (22E)- (9CI)
- CalvasterolA
- Calvasterol A
- (10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,1
- (10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione
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- Inchi： 1S/C28H38O3/c1-17(2)18(3)7-8-19(4)21-11-14-28(31)23-16-25(30)24-15-20(29)9-12-26(24,5)22(23)10-13-27(21,28)6/h7-8,10,15-19,21,31H,9,11-14H2,1-6H3/b8-7+/t18-,19+,21+,26+,27+,28+/m0/s1
- InChI Key： JABICPUHELULCU-OCOXMEBRSA-N
- SMILES： O[C@]12C3=CC(C4=CC(CC[C@]4(C)C3=CC[C@]1(C)[C@@H]([C@@H](/C=C/[C@H](C)C(C)C)C)CC2)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 932
- XLogP3: 4.5
- Topological Polar Surface Area: 54.4
(10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-en-2-yl]-14-hydroxy-10,13-dimethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,6-dione Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergosterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives
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