(2As,4S,5'R,6As,6Bs,8As,8Br,9S,10R,11As,12As,12Br)-5',6A,8A,9-Tetramethyldocosahydrospiro[Naphtho[2',1':4,5]Indeno[2,1-B]Furan-10,2'-Pyran]-4-Ol (2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-四甲基二十二氢螺[萘并[2',1':4,5]茚并[2,1-b]呋喃-10,2'-吡喃]-4-醇

CAS 77-60-1 MFCD00067287

化学结构图

77-60-1
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2

化学属性

Mol. FormulaC27H44O3
Mol. Weight416.64
Melting Point202-204 ºC
Appearance 白色针状结晶（丙酮）。一水合物结晶（乙醇水溶液），熔点 205-206℃（203℃），[α]25/D-69°（C=0.5，氯仿）。

别名和识别编码

Chemical Name(2As,4S,5'R,6As,6Bs,8As,8Br,9S,10R,11As,12As,12Br)-5',6A,8A,9-Tetramethyldocosahydrospiro[Naphtho[2',1':4,5]Indeno[2,1-B]Furan-10,2'-Pyran]-4-Ol
Synonym (25R)-5α-Spirostan-3β-ol (25R)-5-Spirostan-3-ol (25R)-5A-Spirostan-3B-ol (25R)-5alpha-Spirostan-3beta-ol (25R)-5α-Spirostan-3β-ol (25R)-5α-螺甾(烷)-3β-醇 (25r)-5-alpha-spirostan-3-beta-o (3,5,25R)-3-Hydroxy-spirostane (3-beta,5-alpha,25r)-spirostan-3-o (3-beta,5-alpha,25r)-spirostan-3-ol (3β,5α,25R)-3-羟基-螺甾(烷) (5alpha,25R)-spirostan-3beta-ol (5α,25R)-spirostan-3β-ol 25R,5ALPHA-SPIROSTAN-3BETA-OL 5-ALPHA, 20-ALPHA, 22-ALPHA, 25D-SPIROSTAN-3-BETA-OL 5-alpha-Spirostan-3-beta-ol 5-alpha-spirostan-3-beta-ol 5alpha-Spirostan-3beta-ol, (25R)- 5α-Spirostan-3β-ol 5α-Spirostan-3β-ol, (25R)- NSC 93754 PYM 50028 PYM-50028 PYM50028 SMI
MDL NumberMFCD00067287
EC Number201-041-9
CAS Number77-60-1
Chemical Name Translation(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-四甲基二十二氢螺[萘并[2',1':4,5]茚并[2,1-b]呋喃-10,2'-吡喃]-4-醇
Beilstein Registry Number1293741
LabNetwork Molecule IDLN00191974
PubChem Substance ID99516
InChIInChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 8ring; 9ring; 10ring; 12ring; 13ring; 14ring; 16ring; 17ring; 20ring; spiro; alcohol; acetal; chiral; 1fragment

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.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
RTECSWH1443500 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   29QKAZ "Toxins of Animal and Plant Origin, Proceedings International
   Symposium, 2nd, 1970," de Vries, A., and E. Kochva, eds., 3 vols., New York,
   Gordon and Breach Science Pub., 1971-73  Volume(issue)/page/year: 2,597,1972

Storage condition -20 -20°C -20℃

其他信息

  • 比旋光度:-68 ° (c=0.8g/100ml, CHCl3)
  • 用途一:用作激素类药物的原料药
  • MOL 文件:77-60-1.mol
  • 用途二:双炔失碳丙酯、去氢甲基睾丸素、康复龙等的原料。
  • MSDS 信息:(25R)-5alpha-Spirostan-3beta-ol(77-60-1).msds
  • 下游产品:16Α,17Α-环氧-16Β-甲基孕甾-9(11)-烯-3Β-醇-20-酮-3-醋酸酯 --> 雄甾烷-3-醇-17-酮-3-对甲苯磺酸酯 --> 16-甲基孕甾-9(11),16-二烯-3Β-醇-20-酮-3-醋酸酯 --> 羟甲烯龙 --> 3beta-羟基孕甾-16-烯-20-酮-3-醋酸酯 --> 16Α-甲基孕甾(烷)-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 16Α-甲基孕甾-1,4-二烯-17Α,21-二醇-3,20-二酮-21-醋酸酯
  • Sigma Aldrich:77-60-1(sigmaaldrich)

系列性分类

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