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Hop-22(29)-ene
[CAS# 1615-91-4]

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Identification
Name Hop-22(29)-ene
Synonyms A'-Neogammacer-22(29)-Ene; Chebi:4648; 04626_Fluka
Molecular Structure CAS#: 1615-91-4, Hop-22(29)-ene
Molecular Formula C30H50
Molecular Weight 410.73
CAS Registry Number 1615-91-4
SMILES [C@@]34([C@]2([C@@H]([C@@]1([C@H](C(CCC1)(C)C)CC2)C)CC[C@@H]3[C@@]5([C@@H](CC4)[C@H](CC5)C(=C)C)C)C)C
InChI 1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey HHXYJYBYNZMZKX-PYQRSULMSA-N
Properties
Density 0.934g/cm3 (Cal.)
Boiling point 458.695°C at 760 mmHg (Cal.)
Flash point 231.148°C (Cal.)
References
(1) Jun Cheng and Tsutomu Hoshino. Cyclization cascade of the C-bisnorheptaprenoid catalyzed by recombinant squalene cyclase, Org. Biomol. Chem., 2009, 7, 1689.
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