Cas no 633-31-8 ([(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate)
633-31-8 structure
Product Name:[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
CAS No:633-31-8
MF:C30H50O2
MW:442.716809749603
MDL:MFCD00021143
CID:39309
PubChem ID:87565764
Update Time:2025-04-18
[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Chemical and Physical Properties
Names and Identifiers
-
- Cholesteryl propionate
- Cholest-5-en-3beta-yl propionate
- Cholesterol Propionate
- Propionic Acid Cholesterol Ester
- Cholest-5-en-3-ol (3
- A)-, 3-propanoate
- [(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahyd
- D95344
- CCORPVHYPHHRKB-NXUCFJMCSA-N
- AKOS015839618
- 633-31-8
- HY-W013128
- Cholesterol, propionate
- Propionyloxy-3.beta. cholestene-5
- CS-W013844
- AS-63211
- Cholesterol n-propionate
- L-Phe-7-Amino-4-Methylcoumarin
- (3I(2))-cholest-5-en-3-yl propanoate
- MFCD00021143
- (3beta)-Cholest-5-en-3-yl propionate
- Cholesterinpropionat
- NS00041600
- (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl propionate
- cholesteryl propanoate
- Cholest-5-en-3-ol (3beta)-, 3-propanoate
- NSC 226871
- W-104917
- SCHEMBL161165
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
- Cholest-5-en-3-yl propionate #
- 3.beta.-Propanoyloxycholest-5-ene
- (1R,3AS,3BS,7S,9AR,9BS,11AR)-9A,11A-DIMETHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-YL PROPANOATE
- FC61973
- Cholest-5-en-3-ol (3.beta.)-, 3-propanoate
- [(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
-
- MDL: MFCD00021143
- Inchi: 1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1
- InChI Key: CCORPVHYPHHRKB-NXUCFJMCSA-N
- SMILES: O(C(CC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 442.38100
- Monoisotopic Mass: 442.381
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 708
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 9.6
Experimental Properties
- Color/Form: White powder
- Density: 0.9882 (rough estimate)
- Melting Point: 97-100 oC
- Boiling Point: 493.26°C (rough estimate)
- Flash Point: 256.6°C
- Refractive Index: -40 ° (C=2, CHCl3)
- PSA: 26.30000
- LogP: 8.34960
- Solubility: Insoluble in water.
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Security Information
- Signal Word:warning
- Hazard Statement: H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation
- Warning Statement: P264+P280+P305+P351+P338+P337+P108
- Safety Instruction: S24/25
- Safety Term:S24/25
- Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Pricemore >>
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[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate |
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[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate |
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[(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate Related Literature
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Yun Lu,Lilan Sun,Jing Pang,Congran Li,Xiukun Wang,Xinxin Hu,Guoqing Li,Xue Li,Youwen Zhang,Hao Wang,Xinyi Yang,Xuefu You RSC Adv. 2022 12 24447
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Daniel Z. Doherty,Amna Ghith,Ava Ho,James J. De Voss,Stephen G. Bell Chem. Commun. 2023 59 9392
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Jagan Mohan Rao Tingirikari Food Funct. 2018 9 5059
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4. Liquid crystals and anisotropic melts. A general discussionBernal,Lawrence,Oseen,H. Zocher,Kast,Ornstein,Feachem,N. K. Adam,Desch,Lowry,Rawlins,Herrmann,Fo?x,Malkin,Porter,Stewart,G. W. Stewart,A. M. Taylor,Ostwald,Carpenter,G. S. Hartley Trans. Faraday Soc. 1933 29 1060
-
5. Dipole moments of some cholesteryl compoundsC. V. S. S. V. Gopalakrishna,C. Haranadh,C. R. K. Murty Trans. Faraday Soc. 1967 63 1953
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