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Back ChemicalBook Home>CAS DataBase List>465-99-6More Spectrum> Hederagenin(465-99-6) 1H NMR

465-99-6

Hederagenin(465-99-6) 1H NMR

Product NameHederagenin

CAS465-99-6

Molecular FormulaC30H48O4

Molecular Weight472.71

InChIInChI=1/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/s3

InChIKey PGOYMURMZNDHNS-VGUFXWRFNA-N

SmilesC[C@@]12CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@]3(CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]21C)C)C(=O)O |&1:1,4,11,16,18,21,23,27,31,r|

  • Hederagenin(465-99-6) <sup>1</sup>H NMR

KBr disc

  • Hederagenin(465-99-6) <sup>1</sup>H NMR

nujol mull

  • Hederagenin(465-99-6) <sup>1</sup>H NMR

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