Cas no 2308-84-1 (Stigmasterol 3-palmitate)
Stigmasterol 3-palmitate structure
Product Name:Stigmasterol 3-palmitate
CAS No:2308-84-1
MF:C45H78O2
MW:651.099634647369
CID:2355661
PubChem ID:13828740
Update Time:2025-04-21
Stigmasterol 3-palmitate Chemical and Physical Properties
Names and Identifiers
-
- [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate
- Q27293546
- UNII-X46Z285780
- Stigmasterol 3-palmitate
- 16:0 Stigmasteryl ester
- Stigmast-5,22E-dien-3beta-yl hexadecanoate
- 2308-84-1
- STIGMASTEROL, PALMITATE
- SCHEMBL4738484
- STIGMASTERYL PALMITATE
- LMST01020054
- STIGMASTA-5,22-DIEN-3.BETA.-OL, PALMITATE
- STIGMASTEROL HEXADECANOATE
- X46Z285780
- PALMITIC ACID, STIGMASTA-5,22-DIEN-3.BETA.-YL ESTER
- STIGMASTA-5,22-DIEN-3-OL, 3-HEXADECANOATE, (3.BETA.,22E)-
-
- Inchi： 1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
- InChI Key： OHLDETMXEXJUDZ-SYYHSBNDSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(C)C)C)CC[C@H]21
Computed Properties
- Exact Mass: 650.60018173g/mol
- Monoisotopic Mass: 650.60018173g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 47
- Rotatable Bond Count: 21
- Complexity: 992
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
- XLogP3: nothing
- Tautomer Count: nothing
- Surface Charge: 0
Stigmasterol 3-palmitate Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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