(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3-Isopropyl-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# 21681-17-4]

Identification

• Name: (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3-Isopropyl-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: B′:A′-Neogammacer-13(18)-ene; Hopene II; Neohop-13(18)ene solution
• Molecular Formula: C₃₀H₅₀
• Molecular Weight: 410.72
• CAS Registry Number: 21681-17-4
• SMILES: CC(C)[C@H]4CC\C3=C5/CC[C@H]2[C@@](C)(CC[C@@H]1[C@]2(C)CCCC1(C)C)[C@]5(C)CC[C@@]34C
• InChI: 1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
• InChIKey: WGNURPYJZZHCBQ-ZNABNZNXSA-N

Properties

• Density: 0.971g/cm³ (Cal.)
• Boiling point: 464.217°C at 760 mmHg (Cal.)
• Flash point: 233.861°C (Cal.)
• Refractive index: 1.527 (Cal.)