Butyric acid, 2-hydroxy-2-methyl-, 4-ester with1,2,3,3a-beta,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-alpha,2-alpha,4-beta,10-alpha,11-beta-pentahyd roxy-3-alpha,8,11a-beta-trimethyl-5H-1,11c-beta-(epoxymethano)phenanthro(10,1-bc)pyran-5- one
CAS 1448-23-3 MFCD01745359
化学结构图
SMILES: CCC(C)(O)C(=O)OC1C(=O)OC2CC3C(C)=CC(O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O
化学属性
| Mol. Formula | C25H36O10 |
|---|---|
| Mol. Weight | 496.61 |
别名和识别编码
| Chemical Name | Butyric acid, 2-hydroxy-2-methyl-, 4-ester with1,2,3,3a-beta,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-alpha,2-alpha,4-beta,10-alpha,11-beta-pentahyd roxy-3-alpha,8,11a-beta-trimethyl-5H-1,11c-beta-(epoxymethano)phenanthro(10,1-bc)pyran-5- one |
|---|---|
| Synonym | alpha-Kirondrin Glaucarubin beta-Kirondrin Glaucarubina Glaumeba MK-53 Simarubaceae Glarubin |
| Wiswesser Line Notation | T5 F6666/DS 3AAE S AX CO NOV IUTJ DQ GQ HQ J1POVXQ2&1 R1 SQ |
| CAS Number | 1448-23-3 |
| PubChem Substance ID | 441794 |
| InChI | InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1 |
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分类
- {uni_hamburg}
相关文献及参考
- Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),172,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 28 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(2),172,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 114,307,1958
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