Cas no 6987-59-3 (Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI))
![Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI) structure](https://ossimg.kuujia.com/scimg/7000/6987-59-3x500.png)
6987-59-3 structure
Product Name:Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI)
CAS No:6987-59-3
MF:C24H32O3
MW:368.509087562561
CID:510753
Update Time:2023-11-18
Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylicacid, 17'-hydroxy-3'-oxo-, g-lactone, (17'a)- (9CI)
- Dispiro[cyclopropane-1,6'-[6H]cyclopenta[a]phenanthrene-17'(1'H),2''(5''H)-furan],spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid deriv.
- SC 17127
- Spiro[cyclopropane-1,6'-[17a]pregn[4]ene]-21'-carboxylic acid,17'-hydroxy-3'-oxo-, g-lactone (8CI)
- Spiro[cyclopropane-1,6'-[17a]pregnene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, g-lactone (7CI)
- CID 101122671
- Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI)
-
- Inchi： 1S/C24H32O3/c1-21-7-3-15(25)13-19(21)23(11-12-23)14-16-17(21)4-8-22(2)18(16)5-9-24(22)10-6-20(26)27-24/h13,16-18H,3-12,14H2,1-2H3/t16-,17+,18+,21-,22+,24-/m1/s1
- InChI Key： VNSGXUPCNIQYMW-LMDZLGAWSA-N
- SMILES： O1C(CC[C@]21CC[C@@H]1[C@]2(C)CC[C@@H]2[C@@]3(C)CCC(C=C3C3(CC3)C[C@@H]12)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 777
- XLogP3: 3.6
- Topological Polar Surface Area: 43.4
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Melting Point: 161-163 °C
- Boiling Point: 553.8±50.0 °C(Predicted)
Spiro[cyclopropane-1,6'-pregn[4]ene]-21'-carboxylic acid, 17'-hydroxy-3'-oxo-, γ-lactone, (17'α)- (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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