(3S,8S,9S,10R,13R,14S,17R)-3-Chloro-17-[(2R,5R)-5-Ethyl-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 33999-15-4]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-17-[(2R,5R)-5-Ethyl-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene; (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene
• Molecular Formula: C₂₉H₄₉Cl
• Molecular Weight: 433.16
• CAS Registry Number: 33999-15-4
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](Cl)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C29H49Cl/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: IMWQDSKRNHVSQV-VJSFXXLFSA-N

Properties

• Density: 0.988g/cm³ (Cal.)
• Boiling point: 500.153°C at 760 mmHg (Cal.)
• Flash point: 265.404°C (Cal.)