Cas no 145163-97-9 (3beta-Hydroxyporiferast-5-en-7-one)
145163-97-9 structure
Product Name:3beta-Hydroxyporiferast-5-en-7-one
3beta-Hydroxyporiferast-5-en-7-one Chemical and Physical Properties
Names and Identifiers
-
- 3beta-Hydroxyporiferast-5-en-7-one
- (3β,24S)-3-Hydroxystigmast-5-en-7-one
- 3Β-HYDROXYPORIFERAST-5-EN-7-ONE
- Stigmast-5-en-7-one,3-hydroxy-, (3b,24S)-
- (3Beta,24S)-3-Hydroxystigmast-5-en-7-one
- 3alpha-hydroxy-7-keto-5beta-cholanic acid
- 3alpha-Hydroxy-7-oxo-5?cholanic acid
- 3-Hydoxy-7-ketocholanic acid
- 7-Ketochenodeoxycholic acid
- 7-KETOLITHOCHOLIC ACID
- 7-ketositosterol
- 7-oxo-lithocholic acid
- 7-oxositosterol
- Hydroxycholanicacid
- Nutriacholic acid
- stigmastanone
- [ "" ]
- 145163-97-9
- FS-10373
- AKOS022184604
- Stigmast-5-en-7-one,3-hydroxy-,(3b,24s)-
- Stigmast-5-en-7-one, 3-hydroxy-, (3beta,24S)-
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
- 3??-Hydroxyporiferast-5-en-7-one
- (3
- CS-0928313
- A,24S)-3-Hydroxystigmast-5-en-7-one
- HY-N12521
-
- Inchi: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
- InChI Key: ICFXJOAKQGDRCT-ZIHMWMKCSA-N
- SMILES: O=C1C=C2C[C@H](CC[C@]2(C)[C@@]2([H])CC[C@]3(C)[C@@]([H])([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@]3([H])[C@@]21[H])O
Computed Properties
- Exact Mass: 428.36500
- Monoisotopic Mass: 428.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 708
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Powder
- PSA: 37.30000
- LogP: 7.20380
3beta-Hydroxyporiferast-5-en-7-one Security Information
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Sealed in dry,2-8°C(BD235783)
3beta-Hydroxyporiferast-5-en-7-one Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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