Cas no 172430-78-3 (Ergost-24-en-26-oic acid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, δ-lactone, (4β,5α,6β,22R)- (9CI))
172430-78-3 structure
Product Name:Ergost-24-en-26-oic acid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, δ-lactone, (4β,5α,6β,22R)- (9CI)
CAS No:172430-78-3
MF:C28H42O8
MW:506.628289699554
CID:224314
Update Time:2024-03-01
Ergost-24-en-26-oic acid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, δ-lactone, (4β,5α,6β,22R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Ergost-24-en-26-oicacid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, d-lactone, (4b,5a,6b,22R)- (9CI)
- JaborosalactoneX
- Jaborosalactone X
- CID 101712449
- Ergost-24-en-26-oic acid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, δ-lactone, (4β,5α,6β,22R)- (9CI)
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- Inchi： 1S/C28H42O8/c1-14-10-21(36-25(34)17(14)12-29)15(2)18-4-5-19-16-11-24(33)28(35)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h15-16,18-21,23-24,29-30,32-33,35H,4-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28-/m0/s1
- InChI Key： DFSBDOXCQOJIAK-KVQZJPFPSA-N
- SMILES： O[C@]12[C@H](CCC([C@]1(CO)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 36
- Rotatable Bond Count: 4
- Complexity: 961
- Topological Polar Surface Area: 145
Experimental Properties
- Density: 1.316±0.06 g/cm3(Predicted)
- Melting Point: 204-205 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling Point: 706.0±60.0 °C(Predicted)
- pka: 12.98±0.70(Predicted)
Ergost-24-en-26-oic acid, 4,5,6,19,22,27-hexahydroxy-1-oxo-, δ-lactone, (4β,5α,6β,22R)- (9CI) Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Withanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Withanolides and derivatives
- Natural Products and Extracts Plant Extracts Plant based Jaborosa leucotricha
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