Cas no 39219-58-4 (3beta-Hydroxy-5alpha-cholest-7-en-6-on)
39219-58-4 structure
Product Name:3beta-Hydroxy-5alpha-cholest-7-en-6-on
CAS No:39219-58-4
MF:C27H44O2
MW:400.637068748474
CID:2016283
PubChem ID:56842747
Update Time:2025-04-21
3beta-Hydroxy-5alpha-cholest-7-en-6-on Chemical and Physical Properties
Names and Identifiers
-
- 3beta-Hydroxy-5alpha-cholest-7-en-6-on
- 3beta-Hydroxy-cholesten-(7)-on-(6)
- Desoxyviperidon
- Delta7-5alpha-Cholestenol-(3beta)-on-(6)
- (3S,5R,9R,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
- 3beta-Hydroxy-5beta-cholest-7-en-6-one
- 3b-hydroxy-5b-cholest-7-en-6-one
- 2,14,22,25-Tetradeoxy-alpha-ecdysone
- 39219-58-4
- 3 beta-hydroxy-5 beta-cholest-7-en-6-one
- DTXSID60192475
- Cholest-7-en-6-one, 3-hydroxy-, (3beta,5beta)-
- DTXCID70114966
-
- Inchi： 1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-19,21-24,28H,6-15H2,1-5H3/t18-,19+,21-,22+,23+,24+,26-,27-/m1/s1
- InChI Key： AVFLDWQHIWZEHL-LJFHHSMUSA-N
- SMILES： O=C1C=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]32)[C@@]2(C)CC[C@@H](C[C@H]21)O
Computed Properties
- Exact Mass: 400.334130642g/mol
- Monoisotopic Mass: 400.334130642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 663
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.2
- Topological Polar Surface Area: 37.3?2
3beta-Hydroxy-5alpha-cholest-7-en-6-on Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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