Chem
J-GLOBAL ID：200907087950142756   Nikkaji number：J14.387A

Allobetulin

アロベツリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H50O2
Molecular formula furigana： C30-H50-O2
Molecular weight： 442.728
InChI： InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChI key： BZNIIOGSANMIET-HWNNWUPFSA-N
SMILES： CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3
Systematic name  (1)：
  • (18α)-19β,28-エポキシオレアナン-3β-オール
Other name (3)：
  • アロベツリン
  • Allobetulin
  • (18α)-19β,28-Epoxyoleanan-3β-ol
CAS registry number： 1617-72-7
KEGG COMPOUND： C15274
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