(3aS,5aS,5bR,7aS,11aS,11bR)-3A,5A,5B,8,8,11A-Hexamethyl-2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,11A,11B,12,13-Octadecahydro-1H-Cyclopenta[a]Chrysene
[CAS# 63543-60-2]

Identification

• Name: (3aS,5aS,5bR,7aS,11aS,11bR)-3A,5A,5B,8,8,11A-Hexamethyl-2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,11A,11B,12,13-Octadecahydro-1H-Cyclopenta[a]Chrysene
• Synonyms: 17α-20,29,30-Trinorlup-13(18)-ene; 22,29,30-TRISNORNEOHOP-13 -ENE; 22,29,30-TRISNORNEOHOP-13(18)-ENE
• Molecular Formula: C₂₇H₄₄
• Molecular Weight: 368.64
• CAS Registry Number: 63543-60-2
• SMILES: C[C@]35CCC\C5=C4/CC[C@H]2[C@@](C)(CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C)[C@]4(C)CC3
• InChI: 1S/C27H44/c1-23(2)13-8-15-25(4)21(23)12-16-27(6)22(25)11-10-20-19-9-7-14-24(19,3)17-18-26(20,27)5/h21-22H,7-18H2,1-6H3/t21-,22+,24-,25-,26+,27+/m0/s1
• InChIKey: DQYRCOLJIFTLJT-DGMHDFATSA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 431.913°C at 760 mmHg (Cal.)
• Flash point: 211.318°C (Cal.)