Cas no 119400-44-1 (Stigmasta-5,7,14,22,25-pentaen-3-ol,(3b,22E)- (9CI))
119400-44-1 structure
Product Name:Stigmasta-5,7,14,22,25-pentaen-3-ol,(3b,22E)- (9CI)
CAS No:119400-44-1
MF:C29H42O
MW:406.6431889534
CID:168775
PubChem ID:6443950
Update Time:2025-04-19
Stigmasta-5,7,14,22,25-pentaen-3-ol,(3b,22E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Stigmasta-5,7,14,22,25-pentaen-3-ol,(3b,22E)- (9CI)
- stigmasta-5,7,14,22,25-pentaene-3-ol
- (3beta,22E,24R)-stigmasta-5,7,14,22,25-pentaen-3-ol
- SMPOL
- 119400-44-1
- (3S,9R,10R,13R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
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- Inchi： 1S/C29H42O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,20-21,23,25,27,30H,2,7,12,14-18H2,1,3-6H3/b9-8+/t20-,21-,23+,25-,27+,28+,29-/m1/s1
- InChI Key： BGVRLHTZYLTSAD-JUIQTESCSA-N
- SMILES： O[C@@H]1CC2=CC=C3C4=CC[C@H]([C@@H](/C=C/[C@H](C(=C)C)CC)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
Computed Properties
- Exact Mass: 406.323566
- Monoisotopic Mass: 406.323566
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 823
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 7.5
Experimental Properties
- Density: 1.02
- Boiling Point: 537.5°Cat760mmHg
- Flash Point: 227.6°C
- Refractive Index: 1.558
Stigmasta-5,7,14,22,25-pentaen-3-ol,(3b,22E)- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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