Cas no 71473-21-7 ((22R)-6α,7α-Epoxy-5,12β,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone)
71473-21-7 structure
Product Name:(22R)-6α,7α-Epoxy-5,12β,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone
CAS No:71473-21-7
MF:C28H38O6
MW:470.597729206085
CID:578404
Update Time:2024-03-01
(22R)-6α,7α-Epoxy-5,12β,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone Chemical and Physical Properties
Names and Identifiers
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- Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,12,22-trihydroxy-1-oxo-, d-lactone, (5a,6a,7a,12b,22R)- (9CI)
- (22R)-6α,7α-Epoxy-5,12β,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone
- 6,7-Epoxy-1H-cyclopenta[a]phenanthrene,ergosta-2,24-dien-26-oic acid deriv.
- Daturalactone 3
- Daturalactone-3
- CID 101316930
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- Inchi： 1S/C28H38O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,21-24,30,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1
- InChI Key： DGZBYFRXLDYRMK-FNMIBHOCSA-N
- SMILES： O1[C@@H]2[C@]3(CC=CC([C@]3(C)[C@H]3C[C@H]([C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@H]4[C@@H]3[C@H]12)O)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 1010
- Topological Polar Surface Area: 96.4
(22R)-6α,7α-Epoxy-5,12β,22-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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
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