Chem
J-GLOBAL ID：200907039648183104   Nikkaji number：J832.596K

Hopane-22,30-diol

ホパン-22,30-ジオール
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： C30H52O2
Molecular formula furigana： C30-H52-O2
Molecular weight： 444.744
InChI： InChI=1S/C30H52O2/c1-25(2)14-8-15-27(4)22(25)13-18-29(6)24(27)10-9-23-26(3)16-11-21(30(7,32)19-31)20(26)12-17-28(23,29)5/h20-24,31-32H,8-19H2,1-7H3/t20-,21-,22-,23+,24+,26-,27-,28+,29+,30?/m0/s1
InChI key： BEXYZDKHOZFTHZ-KNGUYDOOSA-N
SMILES： CC(O)(CO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C
Systematic name  (3)：
  • ホパン-22,30-ジオール
  • 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-3-イル]プロパン-1,2-ジオール
  • 2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-3-yl]propane-1,2-diol
Other name (1)：
  • Hopane-22,30-diol
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