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30-(5'-Adenosyl)Hopane
[CAS# 97885-00-2]

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CAS#: 97885-00-2
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Identification
Name 30-(5'-Adenosyl)Hopane
Molecular Structure CAS#: 97885-00-2, 30-(5'-Adenosyl)Hopane
Molecular Formula C40H63N5O3
Molecular Weight 661.97
CAS Registry Number 97885-00-2
SMILES C1=NC(=C2C(=N1)[N](C=N2)C3C(C(C(O3)CCC(C4CC5C(C4)(C6C(CC5)(C7(C(CC6)C8(C(CC7)C(CCC8)(C)C)C)C)C)C)C)O)O)N
InChI 1S/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-19-25-13-17-39(6)29(38(25,5)20-24)12-11-28-37(4)16-8-15-36(2,3)27(37)14-18-40(28,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)
InChIKey DDXLFUDYDRGCAX-UHFFFAOYSA-N
Properties
Density 1.35g/cm3 (Cal.)
Boiling point 768.653°C at 760 mmHg (Cal.)
Flash point 418.667°C (Cal.)
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