Cas no 103629-94-3 (9,19-Cycloergost-24(28)-ene-3,6-diol,14-methyl-, (3b,5a,6a)- (9CI))
103629-94-3 structure
Product Name:9,19-Cycloergost-24(28)-ene-3,6-diol,14-methyl-, (3b,5a,6a)- (9CI)
CAS No:103629-94-3
MF:C29H48O2
MW:428.690229415894
CID:154217
PubChem ID:175940
Update Time:2025-04-19
9,19-Cycloergost-24(28)-ene-3,6-diol,14-methyl-, (3b,5a,6a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 9,19-Cycloergost-24(28)-ene-3,6-diol,14-methyl-, (3b,5a,6a)- (9CI)
- roxburghiadiol A
- (3beta,5alpha,6alpha,9beta)-14-methyl-9,19-cycloergost-24(28)-ene-3,6-diol
- 4-Bisnormethyl-24-methylenecycloarta-3,6-diol
- 9,19-Cycloergost-24(28)-ene-3,6-diol, 14-methyl-, (3beta,5alpha,6alpha)-
- Roxburghiadiol B
- 103629-94-3
- 14-Methyl-9,19-cycloergost-24(28)-ene-3,6-diol
- (1S,3R,6S,8S,9S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
- DTXSID00908532
-
- Inchi： 1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
- InChI Key： FLFAKBJFVNSCHC-HFOFPBCXSA-N
- SMILES： O[C@H]1C[C@H]2[C@]3(C)CC[C@H]([C@H](C)CCC(=C)C(C)C)[C@@]3(C)CC[C@@]32C[C@]23CC[C@@H](C[C@@H]21)O
Computed Properties
- Exact Mass: 428.36564
- Monoisotopic Mass: 428.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 743
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
9,19-Cycloergost-24(28)-ene-3,6-diol,14-methyl-, (3b,5a,6a)- (9CI) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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
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